 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer01_STD_wB97XD_def2SVPD.in
 Output=26_junionone_conformer01_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-27784.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     27788.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer01_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer01_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.843861000000      0.588513000000      1.590318000000
  C                                                -2.018204000000      0.424265000000      0.084751000000
  C                                                -0.856893000000     -0.408703000000     -0.589828000000
  C                                                 0.485225000000     -0.407760000000      0.025693000000
  C                                                 1.609556000000      0.001394000000     -0.566648000000
  C                                                 2.918071000000     -0.019332000000      0.133614000000
  O                                                 3.039154000000     -0.402492000000      1.280585000000
  C                                                -2.305460000000      1.761314000000     -0.573782000000
  C                                                -2.977579000000     -0.750179000000     -0.258376000000
  C                                                -1.752114000000     -1.669731000000     -0.448443000000
  C                                                 4.104594000000      0.468016000000     -0.666946000000
  H                                                -3.507633000000     -0.576978000000     -1.196011000000
  H                                                -3.702742000000     -1.029046000000      0.506445000000
  H                                                -0.787609000000     -0.115682000000     -1.639725000000
  H                                                -1.511957000000     -2.231397000000      0.454425000000
  H                                                -1.756468000000     -2.357491000000     -1.292692000000
  H                                                -1.649939000000     -0.363032000000      2.087921000000
  H                                                -2.753812000000      1.008771000000      2.024721000000
  H                                                -1.016421000000      1.262039000000      1.822785000000
  H                                                -1.480256000000      2.460114000000     -0.412932000000
  H                                                -3.210529000000      2.213045000000     -0.158939000000
  H                                                -2.448800000000      1.648912000000     -1.650360000000
  H                                                 0.569847000000     -0.762540000000      1.049131000000
  H                                                 1.593223000000      0.362635000000     -1.590100000000
  H                                                 4.223011000000     -0.138714000000     -1.568854000000
  H                                                 5.009053000000      0.415379000000     -0.066038000000
  H                                                 3.937783000000      1.497147000000     -0.996563000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524502   0.000000
     3  C    2.592601   1.580359   0.000000
     4  C    2.977457   2.638733   1.476532   0.000000
     5  C    4.113794   3.709957   2.500417   1.335064   0.000000
     6  C    5.016718   4.956408   3.863332   2.466022   1.484253
     7  O    4.992180   5.262168   4.321766   2.845582   2.370473
     8  C    2.504369   1.517854   2.609133   3.584993   4.292403
     9  C    2.548545   1.554817   2.173425   3.491269   4.658508
    10  C    3.043785   2.177135   1.552933   2.612099   3.755989
    11  C    6.363480   6.168924   5.038942   3.787686   2.540278
    12  H    3.448208   2.204821   2.724371   4.179008   5.188086
    13  H    2.691973   2.264422   3.112153   4.261008   5.516688
    14  H    3.470553   2.186258   1.092220   2.116373   2.628992
    15  H    3.058154   2.728642   2.200406   2.738284   3.971371
    16  H    4.122902   3.115128   2.258545   3.250350   4.173919
    17  H    1.091170   2.183608   2.793089   2.968789   4.219461
    18  H    1.092398   2.155516   3.527520   4.061285   5.173875
    19  H    1.091941   2.173982   2.938967   2.876232   3.767542
    20  H    2.765522   2.163737   2.941086   3.504313   3.951692
    21  H    2.750779   2.163506   3.549483   4.534458   5.318914
    22  H    3.463003   2.166976   2.809391   3.955699   4.512095
    23  H    2.818548   3.006084   2.201584   1.086487   2.067688
    24  H    4.688243   3.981373   2.756551   2.105221   1.085457
    25  H    6.878674   6.481059   5.180426   4.072593   2.802534
    26  H    7.052370   7.028880   5.946662   4.599021   3.461008
    27  H    6.398826   6.147690   5.175579   4.073553   2.800490
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215325   0.000000
     8  C    5.563846   6.056867   0.000000
     9  C    5.953695   6.220158   2.618935   0.000000
    10  C    4.987307   5.248970   3.477639   1.543848   0.000000
    11  C    1.512032   2.384497   6.539885   7.197785   6.238488
    12  H    6.585480   7.001742   2.701851   1.090924   2.198821
    13  H    6.707734   6.815059   3.302332   1.090220   2.264341
    14  H    4.109267   4.822301   2.638791   2.665836   2.182771
    15  H    4.961985   4.973937   4.198642   2.202303   1.090098
    16  H    5.417809   5.782886   4.216963   2.268121   1.088939
    17  H    4.980378   4.758250   3.468028   2.723531   2.855003
    18  H    6.066592   6.008648   2.742181   2.890763   3.780782
    19  H    4.469389   4.417277   2.766664   3.496626   3.780872
    20  H    5.078548   5.611379   1.093232   3.545680   4.138936
    21  H    6.529076   6.926168   1.093300   2.974029   4.157732
    22  H    5.896516   6.551056   1.091879   2.823626   3.597689
    23  H    2.627677   2.506129   4.155848   3.780735   2.908131
    24  H    2.207331   3.304084   4.264849   4.889179   4.077398
    25  H    2.148376   3.096837   6.871769   7.344368   6.269087
    26  H    2.145004   2.522461   7.454626   8.073525   7.085711
    27  H    2.148679   3.098639   6.263115   7.308736   6.534866
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.701813   0.000000
    13  H    8.035704   1.772227   0.000000
    14  H    5.022017   2.794317   3.733401   0.000000
    15  H    6.331662   3.073071   2.499579   3.063722   0.000000
    16  H    6.536597   2.499230   2.964733   2.466744   1.768644
    17  H    6.433862   3.779022   2.675564   3.834076   2.485586
    18  H    7.387504   3.668237   2.712624   4.307959   3.808769
    19  H    5.749263   4.324494   3.768042   3.733557   3.784450
    20  H    5.934941   3.734622   4.237798   2.935900   4.771120
    21  H    7.537521   2.991324   3.346067   3.672361   4.797335
    22  H    6.731166   2.506421   3.660005   2.423522   4.512715
    23  H    4.117478   4.658427   4.315154   3.080756   2.616319
    24  H    2.677742   5.201626   5.863405   2.428911   4.533346
    25  H    1.093427   7.752028   8.241184   5.011174   6.431395
    26  H    1.087156   8.648442   8.849264   6.029909   7.056903
    27  H    1.093428   7.731494   8.186471   5.034303   6.760701
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.926545   0.000000
    18  H    4.830284   1.761923   0.000000
    19  H    4.832687   1.764227   1.767329   0.000000
    20  H    4.905057   3.775343   3.109742   2.578557   0.000000
    21  H    4.928437   3.757658   2.535200   3.105761   1.766182
    22  H    4.081484   4.319820   3.742864   3.776787   1.768433
    23  H    3.666026   2.483172   3.890505   2.685834   4.089749
    24  H    4.325271   4.957069   5.690443   4.389414   3.902745
    25  H    6.383839   6.921984   7.931366   6.396638   6.373172
    26  H    7.413890   7.041849   8.061356   6.371093   6.812665
    27  H    6.882617   6.648078   7.358268   5.705097   5.533812
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.767148   0.000000
    23  H    4.960321   4.713235   0.000000
    24  H    5.343058   4.242180   3.046122   0.000000
    25  H    7.923140   6.907627   4.537468   2.677235   0.000000
    26  H    8.414378   7.723422   4.726272   3.740781   1.784191
    27  H    7.232737   6.421754   4.542471   2.671398   1.756392
                   26         27
    26  H    0.000000
    27  H    1.784298   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.01D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1966492           0.4951118           0.4859240
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       607.0736928418 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0186541163 Hartrees.
 Nuclear repulsion after empirical dispersion term =      607.0550387255 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.1 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.89D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer01_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               5.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.432242315188    
 DIIS: error= 3.14D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.432242315188     IErMin= 1 ErrMin= 3.14D-03
 ErrMax= 3.14D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-02 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.14D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.342 Goal=   None    Shift=    0.000
 GapD=    0.342 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.21D-03 MaxDP=4.16D-01              OVMax= 1.53D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.79D-03    CP:  1.12D+00
 E= -465.441694743872     Delta-E=       -0.009452428684 Rises=F Damp=F
 DIIS: error= 5.28D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.441694743872     IErMin= 2 ErrMin= 5.28D-04
 ErrMax= 5.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-04 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.28D-03
 Coeff-Com: -0.294D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.293D-01 0.103D+01
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=9.50D-04 MaxDP=8.04D-02 DE=-9.45D-03 OVMax= 7.62D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.20D-04    CP:  1.14D+00  1.11D+00
 E= -465.442001344450     Delta-E=       -0.000306600578 Rises=F Damp=F
 DIIS: error= 5.85D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.442001344450     IErMin= 2 ErrMin= 5.28D-04
 ErrMax= 5.85D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-04 BMatP= 2.79D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.85D-03
 Coeff-Com: -0.442D-01 0.483D+00 0.561D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.440D-01 0.480D+00 0.564D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.08D-04 MaxDP=9.56D-03 DE=-3.07D-04 OVMax= 3.31D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.19D-05    CP:  1.14D+00  1.12D+00  1.02D+00
 E= -465.442151128848     Delta-E=       -0.000149784398 Rises=F Damp=F
 DIIS: error= 1.56D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.442151128848     IErMin= 4 ErrMin= 1.56D-04
 ErrMax= 1.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-05 BMatP= 2.11D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.56D-03
 Coeff-Com: -0.165D-01 0.107D+00 0.250D+00 0.659D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.164D-01 0.107D+00 0.250D+00 0.660D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.25D-05 MaxDP=1.39D-03 DE=-1.50D-04 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.62D-05    CP:  1.14D+00  1.12D+00  1.06D+00  1.01D+00
 E= -465.442166361570     Delta-E=       -0.000015232722 Rises=F Damp=F
 DIIS: error= 5.00D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.442166361570     IErMin= 5 ErrMin= 5.00D-05
 ErrMax= 5.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-06 BMatP= 1.91D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-02-0.442D-01-0.181D-01 0.248D+00 0.813D+00
 Coeff:      0.168D-02-0.442D-01-0.181D-01 0.248D+00 0.813D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.09D-05 MaxDP=8.83D-04 DE=-1.52D-05 OVMax= 5.60D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.53D-05    CP:  1.14D+00  1.12D+00  1.09D+00  1.03D+00  9.86D-01
 E= -465.442168698307     Delta-E=       -0.000002336737 Rises=F Damp=F
 DIIS: error= 8.34D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.442168698307     IErMin= 6 ErrMin= 8.34D-06
 ErrMax= 8.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.06D-08 BMatP= 2.03D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-02-0.156D-01-0.126D-01 0.394D-01 0.213D+00 0.775D+00
 Coeff:      0.100D-02-0.156D-01-0.126D-01 0.394D-01 0.213D+00 0.775D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=5.24D-06 MaxDP=4.00D-04 DE=-2.34D-06 OVMax= 1.69D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.54D-06    CP:  1.14D+00  1.12D+00  1.10D+00  1.04D+00  1.03D+00
                    CP:  1.07D+00
 E= -465.442168781240     Delta-E=       -0.000000082932 Rises=F Damp=F
 DIIS: error= 3.29D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.442168781240     IErMin= 7 ErrMin= 3.29D-06
 ErrMax= 3.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-08 BMatP= 6.06D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-03-0.580D-03-0.163D-02-0.164D-01-0.175D-01 0.288D+00
 Coeff-Com:  0.748D+00
 Coeff:      0.182D-03-0.580D-03-0.163D-02-0.164D-01-0.175D-01 0.288D+00
 Coeff:      0.748D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.89D-06 MaxDP=1.36D-04 DE=-8.29D-08 OVMax= 5.08D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.14D-06    CP:  1.13D+00  1.12D+00  1.10D+00  1.04D+00  1.04D+00
                    CP:  1.14D+00  1.00D+00
 E= -465.442168800020     Delta-E=       -0.000000018781 Rises=F Damp=F
 DIIS: error= 1.26D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.442168800020     IErMin= 8 ErrMin= 1.26D-06
 ErrMax= 1.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-09 BMatP= 1.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.879D-04 0.195D-02 0.169D-02-0.104D-01-0.333D-01-0.342D-01
 Coeff-Com:  0.173D+00 0.902D+00
 Coeff:     -0.879D-04 0.195D-02 0.169D-02-0.104D-01-0.333D-01-0.342D-01
 Coeff:      0.173D+00 0.902D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=6.67D-07 MaxDP=2.07D-05 DE=-1.88D-08 OVMax= 4.10D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.60D-07    CP:  1.13D+00  1.12D+00  1.10D+00  1.04D+00  1.04D+00
                    CP:  1.16D+00  1.05D+00  1.03D+00
 E= -465.442168802449     Delta-E=       -0.000000002429 Rises=F Damp=F
 DIIS: error= 3.86D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.442168802449     IErMin= 9 ErrMin= 3.86D-07
 ErrMax= 3.86D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-10 BMatP= 1.04D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.533D-04 0.836D-03 0.863D-03-0.275D-02-0.118D-01-0.392D-01
 Coeff-Com: -0.121D-01 0.367D+00 0.697D+00
 Coeff:     -0.533D-04 0.836D-03 0.863D-03-0.275D-02-0.118D-01-0.392D-01
 Coeff:     -0.121D-01 0.367D+00 0.697D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.88D-07 MaxDP=5.48D-06 DE=-2.43D-09 OVMax= 7.93D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.37D-07    CP:  1.13D+00  1.12D+00  1.10D+00  1.04D+00  1.04D+00
                    CP:  1.16D+00  1.07D+00  1.12D+00  9.83D-01
 E= -465.442168802729     Delta-E=       -0.000000000280 Rises=F Damp=F
 DIIS: error= 1.18D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.442168802729     IErMin=10 ErrMin= 1.18D-07
 ErrMax= 1.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-11 BMatP= 2.03D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.929D-06-0.696D-04-0.140D-04 0.749D-03 0.186D-02-0.335D-02
 Coeff-Com: -0.330D-01-0.194D-01 0.161D+00 0.892D+00
 Coeff:     -0.929D-06-0.696D-04-0.140D-04 0.749D-03 0.186D-02-0.335D-02
 Coeff:     -0.330D-01-0.194D-01 0.161D+00 0.892D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=9.00D-08 MaxDP=6.77D-06 DE=-2.80D-10 OVMax= 5.16D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.11D-08    CP:  1.13D+00  1.12D+00  1.10D+00  1.04D+00  1.04D+00
                    CP:  1.16D+00  1.07D+00  1.14D+00  1.03D+00  1.09D+00
 E= -465.442168802764     Delta-E=       -0.000000000035 Rises=F Damp=F
 DIIS: error= 4.95D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.442168802764     IErMin=11 ErrMin= 4.95D-08
 ErrMax= 4.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-12 BMatP= 1.43D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.612D-05-0.128D-03-0.108D-03 0.590D-03 0.207D-02 0.405D-02
 Coeff-Com: -0.114D-01-0.475D-01-0.487D-01 0.294D+00 0.807D+00
 Coeff:      0.612D-05-0.128D-03-0.108D-03 0.590D-03 0.207D-02 0.405D-02
 Coeff:     -0.114D-01-0.475D-01-0.487D-01 0.294D+00 0.807D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.19D-08 MaxDP=2.61D-06 DE=-3.50D-11 OVMax= 1.28D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.13D-08    CP:  1.13D+00  1.12D+00  1.10D+00  1.04D+00  1.04D+00
                    CP:  1.16D+00  1.06D+00  1.15D+00  1.04D+00  1.21D+00
                    CP:  1.12D+00
 E= -465.442168802787     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 1.08D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.442168802787     IErMin=12 ErrMin= 1.08D-08
 ErrMax= 1.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-13 BMatP= 2.77D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-05-0.194D-04-0.176D-04 0.476D-04 0.233D-03 0.130D-02
 Coeff-Com:  0.373D-03-0.475D-02-0.300D-01-0.193D-01 0.133D+00 0.919D+00
 Coeff:      0.136D-05-0.194D-04-0.176D-04 0.476D-04 0.233D-03 0.130D-02
 Coeff:      0.373D-03-0.475D-02-0.300D-01-0.193D-01 0.133D+00 0.919D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=9.73D-09 MaxDP=4.39D-07 DE=-2.34D-11 OVMax= 4.29D-07

 SCF Done:  E(RwB97XD) =  -465.442168803     A.U. after   12 cycles
            NFock= 12  Conv=0.97D-08     -V/T= 2.0119
 KE= 4.599806567128D+02 PE=-2.292130035181D+03 EE= 7.596521709398D+02
 Leave Link  502 at Fri Aug 13 10:51:05 2021, MaxMem=  5368709120 cpu:            1873.4 elap:             234.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.46225237D+02

 Leave Link  801 at Fri Aug 13 10:51:05 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 5.24D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.73D-01 5.59D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 3.44D-02 1.10D-01.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 3.65D-03 1.85D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 3.72D-04 3.48D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 2.92D-05 8.72D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 1.01D-06 2.32D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 3.99D-08 3.89D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 1.04D-09 5.81D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 2.67D-11 6.37D-07.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 5.83D-13 1.09D-07.
      4 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 1.28D-14 1.29D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.169801D+03
      2  0.572621D+01  0.107820D+03
      3 -0.260130D+01 -0.289978D+01  0.112209D+03
 Isotropic polarizability for W=    0.085645      129.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.864186D+02  0.260184D+02 -0.168391D+01
      2  -0.702606D+02  0.616894D-01  0.282482D+01
      3  -0.161580D+02 -0.260801D+02 -0.114091D+01
      4   0.339426D+02 -0.927598D+02 -0.331063D+02
      5  -0.233351D+02 -0.325520D+02 -0.961761D+01
      6  -0.151091D+02 -0.258879D+02  0.105862D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.488186D+01 -0.660937D+01 -0.711437D+01
      2   0.325079D+02 -0.111366D+02 -0.550098D+01
      3  -0.246746D+02  0.389779D+02  0.149890D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.554278D+00 -0.287127D+02 -0.366662D+02
      2   0.216512D+02 -0.179972D+02  0.654037D+01
      3   0.792417D+01  0.224992D+02  0.174429D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.206478D+01 -0.735732D+01  0.435449D+01
      2  -0.735732D+01  0.554285D+00 -0.473929D+01
      3   0.435449D+01 -0.473929D+01 -0.364851D+01
 OR G Eigenvalues:    -6.8011    -5.6604    11.4321  Iso=     0.3431
 Eigenvectors:
   (1)   0.187041   0.657416   0.729945
   (2)   0.714644   0.418771  -0.560281
   (3)   0.674017  -0.626447   0.391491
 w=    0.085645 a.u., Optical Rotation Beta=      0.3431 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      106.90 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 3.48D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.10D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 4.97D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 5.94D-02 6.45D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.86D-03 1.97D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 4.01D-05 1.02D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 8.88D-07 9.75D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.55D-08 1.34D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 1.72D-10 1.31D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.43D-12 1.07D-07.
     13 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 1.15D-14 1.19D-08.
      1 vectors produced by pass  9 Test12= 3.60D-14 2.78D-09 XBig12= 1.08D-15 3.48D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   254 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.73D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.73D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.06D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169801D+03  0.572621D+01 -0.260130D+01
      2   0.572621D+01  0.107820D+03 -0.289978D+01
      3  -0.260130D+01 -0.289978D+01  0.112209D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.488186D+01 -0.660937D+01 -0.711437D+01
      2   0.325079D+02 -0.111366D+02 -0.550098D+01
      3  -0.246746D+02  0.389779D+02  0.149890D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.864186D+02  0.260184D+02 -0.168391D+01
      2  -0.702606D+02  0.616894D-01  0.282482D+01
      3  -0.161580D+02 -0.260801D+02 -0.114091D+01
      4   0.339426D+02 -0.927598D+02 -0.331063D+02
      5  -0.233351D+02 -0.325520D+02 -0.961761D+01
      6  -0.151091D+02 -0.258879D+02  0.105862D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341908D+01 -0.427548D+01 -0.403881D+01 -0.462110D+01 -0.160091D+01
      2  -0.427548D+01 -0.178628D+01  0.791337D+00 -0.160091D+01  0.164886D+01
      3  -0.403881D+01  0.791337D+00  0.138683D+01  0.104412D+01 -0.369068D+01
                 6             7             8             9            10 
      1   0.104412D+01 -0.317635D+01  0.109661D+01  0.133112D+01 -0.222230D+02
      2  -0.369068D+01  0.109661D+01 -0.314923D+01  0.560647D+00  0.655385D+01
      3   0.901731D+00  0.133112D+01  0.560647D+00  0.310335D+01  0.339791D+01
                11            12            13            14            15 
      1   0.655385D+01  0.339791D+01  0.103754D+02 -0.711930D+00 -0.129197D+01
      2   0.158718D+01 -0.565743D+00 -0.711930D+00  0.983951D+00  0.289685D+01
      3  -0.565743D+00 -0.154322D+01 -0.129197D+01  0.289685D+01 -0.606471D-01
                16            17            18            19            20 
      1   0.135480D+02 -0.172411D+01 -0.233473D+01  0.477102D+02  0.144369D+00
      2  -0.172411D+01  0.359212D+01  0.495617D+00  0.144369D+00  0.398715D+01
      3  -0.233473D+01  0.495617D+00 -0.438031D+01 -0.429467D+00  0.110680D+01
                21            22            23            24            25 
      1  -0.429467D+00 -0.397749D+01  0.911943D+01  0.294514D+01 -0.349695D+01
      2   0.110680D+01  0.911943D+01  0.135321D+01 -0.560194D+00  0.236945D+01
      3   0.531296D+00  0.294514D+01 -0.560194D+00 -0.272500D+01  0.105827D+01
                26            27            28            29            30 
      1   0.236945D+01  0.105827D+01 -0.656309D+02 -0.363660D+01  0.448924D-01
      2  -0.796629D+00 -0.235664D+01 -0.363660D+01 -0.309381D+01 -0.589293D+00
      3  -0.235664D+01  0.487251D+01  0.448924D-01 -0.589293D+00 -0.169603D+01
                31            32            33            34            35 
      1  -0.110261D+02 -0.659742D+01 -0.195840D+01  0.922679D+01 -0.353130D+00
      2  -0.659742D+01 -0.329187D+01 -0.242316D+00 -0.353130D+00  0.361167D+00
      3  -0.195840D+01 -0.242316D+00  0.151574D+01 -0.238313D+01  0.169634D+01
                36            37            38            39            40 
      1  -0.238313D+01  0.596474D+02  0.337843D+01  0.304562D+01  0.128010D+02
      2   0.169634D+01  0.337843D+01  0.169357D+01  0.758888D+00  0.525231D+01
      3  -0.322478D+01  0.304562D+01  0.758888D+00  0.129855D+01  0.140901D+01
                41            42            43            44            45 
      1   0.525231D+01  0.140901D+01 -0.118408D+02 -0.454382D+00  0.399693D+01
      2   0.270843D+01 -0.696720D+00 -0.454382D+00 -0.122295D+01 -0.180906D+01
      3  -0.696720D+00 -0.198981D+01  0.399693D+01 -0.180906D+01  0.249605D+01
                46            47            48            49            50 
      1  -0.195476D+02 -0.748306D+00 -0.365505D+01  0.604766D+01  0.454456D+00
      2  -0.748306D+00  0.866196D+00  0.758864D-02  0.454456D+00  0.729493D+00
      3  -0.365505D+01  0.758864D-02  0.579571D+00  0.300331D+01 -0.907986D+00
                51            52            53            54            55 
      1   0.300331D+01 -0.263875D+02  0.972539D+00 -0.869713D+01  0.575468D+01
      2  -0.907986D+00  0.972539D+00  0.663795D-01  0.105773D+01 -0.744928D+00
      3   0.180010D+01 -0.869713D+01  0.105773D+01 -0.611220D+01  0.285360D+01
                56            57            58            59            60 
      1  -0.744928D+00  0.285360D+01 -0.891691D+01  0.198692D+01 -0.292112D+01
      2   0.372700D+00 -0.424497D+00  0.198692D+01 -0.204418D+01  0.291239D+01
      3  -0.424497D+00  0.111965D+01 -0.292112D+01  0.291239D+01 -0.181456D+01
                61            62            63            64            65 
      1   0.261025D+02 -0.506923D+00  0.995393D+01  0.687566D+01 -0.534427D+01
      2  -0.506923D+00  0.161862D+01 -0.142451D+01 -0.534427D+01 -0.148975D+01
      3   0.995393D+01 -0.142451D+01  0.111204D+02 -0.191470D+01  0.950657D+00
                66            67            68            69            70 
      1  -0.191470D+01 -0.550460D+01 -0.113193D+01  0.117679D+01 -0.498544D+01
      2   0.950657D+00 -0.113193D+01 -0.434498D+00 -0.252625D+01  0.143725D+01
      3   0.126899D+01  0.117679D+01 -0.252625D+01  0.110030D+01  0.165360D+01
                71            72            73            74            75 
      1   0.143725D+01  0.165360D+01  0.459768D+00  0.866278D+00 -0.104777D+01
      2  -0.280142D+01  0.123038D+00  0.866278D+00 -0.376424D+01 -0.177096D+01
      3   0.123038D+00  0.631945D+01 -0.104777D+01 -0.177096D+01  0.294220D+01
                76            77            78            79            80 
      1   0.157241D+01 -0.448072D+01 -0.264152D+01 -0.191934D+01 -0.249193D+01
      2  -0.448072D+01 -0.281383D+01 -0.111495D+01 -0.249193D+01 -0.144949D+01
      3  -0.264152D+01 -0.111495D+01 -0.601997D+00  0.435150D+01 -0.217192D+00
                81            82            83            84            85 
      1   0.435150D+01 -0.923515D+01 -0.698806D+01 -0.117937D+01 -0.821167D+01
      2  -0.217192D+00 -0.698806D+01 -0.193076D+01  0.901442D+00 -0.392721D+01
      3   0.213697D+01 -0.117937D+01  0.901442D+00 -0.537241D+00  0.507413D+00
                86            87            88            89            90 
      1  -0.392721D+01  0.507413D+00  0.561231D+01  0.202509D+01 -0.201244D+00
      2   0.112922D+01  0.106908D+01  0.202509D+01  0.216580D+01  0.447965D+01
      3   0.106908D+01  0.333753D+01 -0.201244D+00  0.447965D+01 -0.525578D+00
                91            92            93            94            95 
      1  -0.174758D+01  0.141419D+01 -0.445365D+01  0.257900D+01 -0.336926D+00
      2   0.141419D+01  0.100556D+01 -0.992539D+00 -0.336926D+00 -0.419634D+01
      3  -0.445365D+01 -0.992539D+00 -0.116407D+01 -0.891795D+00  0.337130D+01
                96            97            98            99           100 
      1  -0.891795D+00 -0.731141D+01 -0.902746D+00 -0.335716D+01 -0.454506D+01
      2   0.337130D+01 -0.902746D+00  0.263619D+01  0.103043D+01 -0.197004D+00
      3   0.154175D+01 -0.335716D+01  0.103043D+01  0.404016D+01 -0.243518D+01
               101           102           103           104           105 
      1  -0.197004D+00 -0.243518D+01  0.724957D+00 -0.471714D+00  0.695837D+00
      2  -0.463543D+00  0.124119D+00 -0.471714D+00  0.515118D+00 -0.629688D+00
      3   0.124119D+00 -0.239170D+01  0.695837D+00 -0.629688D+00  0.652495D+00
               106           107           108           109           110 
      1  -0.422084D+01  0.234522D+00 -0.396199D+01 -0.729528D+01 -0.187540D+01
      2   0.234522D+00 -0.139230D+01 -0.116323D+00 -0.187540D+01 -0.106049D+01
      3  -0.396199D+01 -0.116323D+00 -0.504941D+01  0.246232D+01  0.749062D+00
               111           112           113           114           115 
      1   0.246232D+01 -0.161333D+01 -0.132631D+01  0.857730D+00  0.510949D+01
      2   0.749062D+00 -0.132631D+01 -0.108490D+01  0.832261D+00  0.149959D+01
      3  -0.209153D+01  0.857730D+00  0.832261D+00 -0.537481D+00 -0.335659D+01
               116           117           118           119           120 
      1   0.149959D+01 -0.335659D+01  0.408777D+00  0.438678D+00 -0.864795D+00
      2   0.158131D+01 -0.792922D+00  0.438678D+00 -0.279239D+00 -0.210253D+00
      3  -0.792922D+00  0.257531D+01 -0.864795D+00 -0.210253D+00  0.342448D+00
               121           122           123           124           125 
      1   0.158995D+01 -0.629164D+00 -0.785328D-01 -0.125191D+01 -0.225398D-01
      2  -0.629164D+00  0.614611D+00 -0.982634D+00 -0.225398D-01 -0.147991D+01
      3  -0.785328D-01 -0.982634D+00  0.140672D+01 -0.224195D+00  0.912510D+00
               126           127           128           129           130 
      1  -0.224195D+00  0.865452D+00 -0.884925D-01  0.677492D+00  0.196757D+00
      2   0.912510D+00 -0.884925D-01  0.119401D+01 -0.533611D+00  0.396237D+00
      3  -0.676662D+01  0.677492D+00 -0.533611D+00  0.620721D+00 -0.244955D+00
               131           132           133           134           135 
      1   0.396237D+00 -0.244955D+00  0.130853D+01 -0.242574D+00  0.135865D+00
      2  -0.413295D+01  0.171388D+01 -0.242574D+00  0.336763D+01 -0.269147D+01
      3   0.171388D+01 -0.189135D+01  0.135865D+00 -0.269147D+01  0.337913D+01
               136           137           138           139           140 
      1   0.129923D+01 -0.354819D+00 -0.582604D+00  0.991661D+00 -0.683550D+00
      2  -0.354819D+00  0.296156D+00 -0.335326D-01 -0.683550D+00 -0.633760D+01
      3  -0.582604D+00 -0.335326D-01  0.987677D-01 -0.448009D+00 -0.310873D+01
               141           142           143           144           145 
      1  -0.448009D+00 -0.235067D+01 -0.120500D+01 -0.674138D+00  0.488101D+00
      2  -0.310873D+01 -0.120500D+01 -0.512199D+01 -0.405700D+01 -0.352303D+00
      3  -0.253877D+01 -0.674138D+00 -0.405700D+01 -0.389409D+01  0.869818D+00
               146           147           148           149           150 
      1  -0.352303D+00  0.869818D+00 -0.702152D+00  0.584805D+00 -0.767482D-01
      2   0.625743D+00 -0.302217D+00  0.584805D+00 -0.409823D+01  0.231767D+01
      3  -0.302217D+00  0.465527D+00 -0.767482D-01  0.231767D+01 -0.345114D+01
               151           152           153           154           155 
      1   0.735875D+00 -0.241202D+00  0.110557D+00 -0.642109D+01  0.241477D+01
      2  -0.241202D+00  0.198729D+01 -0.186270D+01  0.241477D+01 -0.170953D+01
      3   0.110557D+00 -0.186270D+01  0.271266D+01  0.363689D+01 -0.140783D+01
               156           157           158           159           160 
      1   0.363689D+01  0.201779D+01 -0.145198D+01 -0.126687D+01  0.179565D+01
      2  -0.140783D+01 -0.145198D+01  0.155120D+01  0.160010D+01 -0.917546D+00
      3  -0.360131D+01 -0.126687D+01  0.160010D+01  0.150772D+01 -0.232188D+01
               161           162           163           164           165 
      1  -0.917546D+00 -0.232188D+01  0.347378D+01  0.188921D+01  0.127489D+01
      2   0.101930D+01  0.103707D+01  0.188921D+01  0.242110D+01  0.115809D+01
      3   0.103707D+01  0.250357D+01  0.127489D+01  0.115809D+01  0.207302D+01
               166           167           168           169           170 
      1   0.167009D+01  0.155055D+01  0.619313D+00  0.413685D+00  0.447978D+00
      2   0.155055D+01  0.286680D+01  0.178416D+01  0.447978D+00  0.938433D+00
      3   0.619313D+00  0.178416D+01  0.176301D+01  0.808521D+00  0.869580D+00
               171           172           173           174           175 
      1   0.808521D+00  0.239350D+01  0.216676D+01  0.395598D+00  0.174074D+01
      2   0.869580D+00  0.216676D+01  0.422526D+01 -0.177682D+00  0.170345D+01
      3   0.113227D+01  0.395598D+00 -0.177682D+00  0.908047D+00  0.787151D-02
               176           177           178           179           180 
      1   0.170345D+01  0.787151D-02  0.741208D+00 -0.574007D-01  0.276502D+00
      2   0.518961D+01  0.230829D+00 -0.574007D-01  0.112912D+01  0.740563D+00
      3   0.230829D+00  0.679762D+00  0.276502D+00  0.740563D+00 -0.224183D+00
               181           182           183           184           185 
      1  -0.734546D+01  0.436146D+01  0.113806D+01  0.196093D+01 -0.255372D+01
      2   0.436146D+01 -0.332297D+01 -0.514835D+00 -0.255372D+01  0.305540D+01
      3   0.113806D+01 -0.514835D+00 -0.144823D+01 -0.654236D+00  0.722961D+00
               186           187           188           189           190 
      1  -0.654236D+00  0.309885D+01 -0.156511D+01 -0.139294D+01 -0.123085D+01
      2   0.722961D+00 -0.156511D+01  0.201370D+01  0.812224D+00  0.736794D+00
      3   0.486035D+00 -0.139294D+01  0.812224D+00  0.588320D+00 -0.932123D+00
               191           192           193           194           195 
      1   0.736794D+00 -0.932123D+00  0.234440D+00  0.654882D-01 -0.150774D+00
      2  -0.769455D-01  0.664613D-01  0.654882D-01 -0.234284D+00 -0.594411D+00
      3   0.664613D-01 -0.997357D+00 -0.150774D+00 -0.594411D+00 -0.503811D+00
               196           197           198           199           200 
      1  -0.140056D+01  0.438311D+00 -0.187202D+01 -0.173217D+01 -0.496123D+00
      2   0.438311D+00 -0.167755D+01  0.120905D+01 -0.496123D+00  0.181467D-01
      3  -0.187202D+01  0.120905D+01 -0.804025D+01  0.803934D+00 -0.760434D-01
               201           202           203           204           205 
      1   0.803934D+00 -0.137236D+01  0.977198D+00  0.389214D+00  0.201771D+01
      2  -0.760434D-01  0.977198D+00 -0.754171D+00  0.110785D+01  0.548919D+00
      3   0.327178D-01  0.389214D+00  0.110785D+01 -0.127507D+01 -0.454693D+00
               206           207           208           209           210 
      1   0.548919D+00 -0.454693D+00  0.140603D+01  0.663755D+00 -0.113209D+01
      2   0.141887D+01 -0.126690D+01  0.663755D+00  0.553203D-01 -0.530019D-01
      3  -0.126690D+01  0.466174D+01 -0.113209D+01 -0.530019D-01 -0.276466D+00
               211           212           213           214           215 
      1   0.100550D+01 -0.262405D+00 -0.750102D+00 -0.185094D+01 -0.592043D+00
      2  -0.262405D+00  0.596171D+00 -0.924071D+00 -0.592043D+00 -0.135149D+01
      3  -0.750102D+00 -0.924071D+00  0.189604D+01  0.949606D+00  0.176818D+01
               216           217           218           219           220 
      1   0.949606D+00  0.255917D+01 -0.759792D+00 -0.556854D+00 -0.232872D+01
      2   0.176818D+01 -0.759792D+00  0.198129D+00  0.464880D+00  0.105498D+01
      3  -0.627738D+01 -0.556854D+00  0.464880D+00  0.736975D+00  0.140552D+01
               221           222           223           224           225 
      1   0.105498D+01  0.140552D+01 -0.347975D+01  0.270669D+00  0.323362D+01
      2  -0.139058D+01 -0.209760D+01  0.270669D+00 -0.212511D+01 -0.163810D+01
      3  -0.209760D+01 -0.283387D+01  0.323362D+01 -0.163810D+01 -0.653929D+01
               226           227           228           229           230 
      1   0.926225D+01  0.236702D+00  0.219615D+01 -0.573571D+00  0.110231D+01
      2   0.236702D+00  0.107727D+01  0.175599D+00  0.110231D+01  0.339083D+00
      3   0.219615D+01  0.175599D+00  0.161524D+01  0.109868D+00  0.981279D-01
               231           232           233           234           235 
      1   0.109868D+00  0.500027D+01  0.387041D+00  0.204829D+01  0.931000D+00
      2   0.981279D-01  0.387041D+00  0.651115D+00 -0.570478D-01  0.596330D+00
      3  -0.276634D+00  0.204829D+01 -0.570478D-01  0.155022D+01  0.425290D+00
               236           237           238           239           240 
      1   0.596330D+00  0.425290D+00  0.333977D+01  0.191776D+01 -0.796105D+00
      2  -0.645936D+00  0.397113D+00  0.191776D+01  0.753226D+01 -0.258122D+01
      3   0.397113D+00 -0.273401D+00 -0.796105D+00 -0.258122D+01  0.191121D+01
               241           242           243 
      1  -0.103842D+01 -0.451329D+00  0.132353D+01
      2  -0.451329D+00 -0.197899D+01  0.149723D+01
      3   0.132353D+01  0.149723D+01 -0.215800D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.562432D+01 -0.439156D+01  0.899909D+00 -0.365987D+01  0.669202D+01
      2   0.627721D+01  0.753811D+01  0.847945D+01  0.613206D+01  0.115195D+02
      3  -0.800620D+01 -0.892416D+01 -0.162171D+01 -0.428797D+01  0.139480D+01
                 6             7             8             9            10 
      1  -0.123525D+02 -0.867113D-01 -0.569986D+01  0.623231D+00 -0.191792D+01
      2  -0.377398D+01  0.145041D+01 -0.232702D+01 -0.794558D+01 -0.195017D+02
      3  -0.606873D+01 -0.296219D+00 -0.580416D+01  0.184077D+01  0.161041D+02
                11            12            13            14            15 
      1   0.233289D+01  0.943128D+00  0.413384D+01 -0.482835D+01 -0.360778D+01
      2   0.154927D+01  0.752737D+01  0.329345D+01 -0.935941D+01 -0.604286D+00
      3   0.418047D+01  0.230852D+01  0.140176D+02  0.637885D+01  0.645367D+01
                16            17            18            19            20 
      1   0.221686D+01  0.676062D+01  0.324101D+01 -0.835577D-01 -0.145850D+01
      2   0.773694D+01 -0.113364D+01  0.961572D+01  0.267628D+02  0.964273D+00
      3  -0.447050D+01  0.678452D+01 -0.390455D-01 -0.219606D+02 -0.639749D+01
                21            22            23            24            25 
      1  -0.102018D+01 -0.776917D+01 -0.266319D+01 -0.286766D+01 -0.296509D+01
      2   0.247404D+01 -0.227152D+01  0.651265D+01  0.459128D+01 -0.147212D+02
      3  -0.630503D+00  0.259865D+01 -0.674204D+01 -0.185476D+01  0.806873D-01
                26            27            28            29            30 
      1   0.190353D+01  0.471533D+01  0.399058D+01 -0.558532D+00 -0.434851D-01
      2   0.315274D+01 -0.313746D+01 -0.369723D+02 -0.366842D+01 -0.375200D+01
      3  -0.295996D+01 -0.172184D+01  0.193497D+02  0.647214D+01  0.104692D+01
                31            32            33            34            35 
      1   0.400747D+01  0.262142D+01 -0.248944D+01  0.229848D+01  0.182080D+00
      2  -0.126724D+02 -0.391070D+01 -0.115798D+01 -0.135790D+02 -0.171687D+01
      3   0.345659D+02  0.693613D+01 -0.912075D-01  0.261732D+01  0.132216D+01
                36            37            38            39            40 
      1  -0.402172D+01 -0.287862D+01 -0.737398D+00 -0.619252D+00 -0.748449D+01
      2  -0.129393D+01  0.441462D+02  0.316870D+01  0.124625D+02  0.137707D+02
      3   0.120309D+00 -0.159310D+02 -0.105551D+02 -0.141281D+01 -0.814837D+01
                41            42            43            44            45 
      1  -0.416109D+00 -0.479256D+01  0.174650D+01 -0.162473D+00 -0.957283D+00
      2   0.277769D+01 -0.156578D+01 -0.130633D+02 -0.368171D+01  0.594339D+01
      3  -0.603668D+01  0.786465D+00 -0.348214D+00 -0.120785D+01  0.124193D+01
                46            47            48            49            50 
      1   0.202355D+00  0.198248D+01  0.244707D+01 -0.615411D+01  0.408274D+01
      2  -0.127397D+02 -0.321578D+01 -0.416111D+01  0.627073D+01 -0.253937D+01
      3   0.772924D+00  0.116570D+02  0.498086D+01  0.234279D+02  0.909355D+00
                51            52            53            54            55 
      1  -0.713324D+01  0.220963D+01 -0.389903D+01 -0.278184D+01  0.122917D+01
      2   0.719956D+01 -0.497179D+02  0.110559D+01 -0.284243D+02  0.245485D+01
      3   0.246365D+01  0.498669D+01  0.871854D+01 -0.208514D+01  0.952918D-01
                56            57            58            59            60 
      1  -0.312976D+00 -0.454471D+00  0.101774D+00 -0.290393D+01 -0.170269D+01
      2  -0.109758D+01  0.734799D+01 -0.911145D+01  0.886850D+01 -0.913516D+01
      3  -0.733766D+01 -0.320624D-01 -0.676666D+01  0.672702D+01 -0.802210D+01
                61            62            63            64            65 
      1  -0.142800D+01  0.894111D+01  0.689300D+00  0.805279D+01 -0.156672D+01
      2   0.299424D+02 -0.465004D+01  0.442736D+02  0.862266D+01 -0.631426D+01
      3  -0.442442D+01 -0.127135D+02  0.340767D+01 -0.987353D+01 -0.192606D+02
                66            67            68            69            70 
      1  -0.383774D+01 -0.178331D+01  0.705831D+01 -0.173692D+01 -0.665308D+01
      2  -0.228467D+01 -0.571258D+01  0.525196D+01 -0.173914D+01 -0.914641D+01
      3  -0.170752D+01 -0.954066D+01 -0.582117D+01 -0.426084D+01  0.208310D+00
                71            72            73            74            75 
      1   0.453944D+01 -0.149472D+02 -0.383227D+00 -0.163784D+01  0.344754D+01
      2   0.780497D+00 -0.147890D+02  0.445527D+01  0.771324D+01 -0.956095D+01
      3  -0.438941D+01  0.359668D+01  0.538912D+01 -0.206823D+02 -0.739772D+01
                76            77            78            79            80 
      1  -0.164238D+01 -0.359546D+00 -0.242072D+01  0.503489D+01  0.193855D+01
      2   0.103169D+02  0.261289D+01  0.542199D+00 -0.217581D+02 -0.152819D+01
      3  -0.141553D+02 -0.474036D+01 -0.231474D+01 -0.843684D+01 -0.153655D+01
                81            82            83            84            85 
      1   0.203614D+01  0.187827D+01  0.424939D+01 -0.192418D+01  0.564884D+01
      2  -0.548804D+01 -0.526568D+01 -0.655798D+01  0.214006D+01 -0.855852D+01
      3  -0.472255D+01 -0.612669D+01  0.774710D+01  0.289063D+01  0.191687D+02
                86            87            88            89            90 
      1   0.422434D+01  0.615339D+01 -0.251516D+01  0.147743D+02 -0.320331D+01
      2  -0.454231D+01 -0.507856D+01  0.278233D+00 -0.609526D+01  0.129616D+01
      3   0.764630D+01 -0.117160D+00  0.326831D+01 -0.864648D-01  0.931276D+01
                91            92            93            94            95 
      1   0.475355D+00 -0.226941D+01  0.100429D+01  0.578586D+01  0.268716D+01
      2  -0.187101D+02 -0.245988D+01 -0.464911D+01 -0.303840D+01  0.144549D+02
      3  -0.721573D+01 -0.102211D+02  0.214459D+01  0.119487D+02  0.198023D+02
                96            97            98            99           100 
      1  -0.785889D+01  0.457143D+01 -0.596125D+00 -0.378673D+01 -0.191596D+01
      2   0.758663D+01 -0.232261D+02  0.350860D+01  0.146464D+02  0.529981D+01
      3  -0.189683D+02  0.374170D+01 -0.102861D+02 -0.701446D+01  0.329918D+01
               101           102           103           104           105 
      1   0.110439D+01 -0.206816D+01  0.594762D+00 -0.118667D+01  0.197272D-01
      2  -0.843640D+00  0.883819D+01 -0.202519D+01  0.195920D+01 -0.208095D+01
      3  -0.254890D+01  0.271160D+01 -0.194725D+00  0.287278D+01 -0.259223D+01
               106           107           108           109           110 
      1  -0.327928D+01  0.292860D+01 -0.420996D+01  0.267578D+01 -0.146781D+00
      2   0.916767D+01  0.121281D+00  0.162128D+02 -0.948297D+01 -0.297638D+01
      3   0.464139D+01 -0.614281D+01  0.317440D+01  0.116471D+01 -0.439846D+01
               111           112           113           114           115 
      1  -0.261404D+01  0.144454D+01  0.551696D+00 -0.154314D+01 -0.300291D+01
      2   0.101369D+02 -0.349386D+01 -0.325838D+01  0.250776D+01  0.107831D+02
      3   0.221202D+00 -0.430946D+00 -0.265753D+01  0.200032D+01  0.487625D+00
               116           117           118           119           120 
      1   0.847620D+00  0.310577D+01 -0.834870D+00 -0.700650D-02  0.176780D+00
      2   0.263913D+01 -0.112289D+02  0.286781D+01  0.481249D+00  0.407336D+00
      3   0.568016D+01  0.583271D+00  0.324831D+00 -0.954460D+00  0.438627D+00
               121           122           123           124           125 
      1  -0.125947D+01 -0.162847D+01  0.353244D+00 -0.566274D+00  0.428123D+01
      2   0.112192D+01  0.127958D+00 -0.167298D+01 -0.400476D+01 -0.793655D+00
      3   0.213297D+01  0.486205D+00 -0.488218D+00  0.653398D+00 -0.104184D+01
               126           127           128           129           130 
      1  -0.351590D+01  0.218421D+01 -0.133172D+01  0.218123D+01 -0.102977D+01
      2   0.643360D+01 -0.115446D+01  0.113395D+01 -0.876195D-01  0.150466D+01
      3   0.104352D+01 -0.247588D+01  0.101419D+01 -0.270074D+01  0.221344D+01
               131           132           133           134           135 
      1   0.455685D+01 -0.646289D+01  0.743678D+00 -0.541202D+01  0.108008D+02
      2  -0.274230D+01  0.300505D+01 -0.171566D+01  0.450961D+01 -0.557763D+01
      3  -0.822283D+01  0.382276D+01 -0.473980D+01  0.652591D+01 -0.592757D+01
               136           137           138           139           140 
      1  -0.153073D+01 -0.521602D+00  0.316955D+00 -0.550092D+00 -0.220297D+01
      2   0.182430D+01 -0.270188D-01  0.352283D+00  0.723453D-01  0.494470D+01
      3  -0.140176D+01  0.262513D+00  0.113520D+01  0.187758D+01 -0.108787D+02
               141           142           143           144           145 
      1  -0.614850D+01  0.105089D+00 -0.401180D+01 -0.747179D+01 -0.146112D+01
      2   0.437757D+01 -0.233576D+01  0.624668D+01  0.630685D+01 -0.404997D+01
      3  -0.502835D+01  0.265431D+01 -0.781359D+01 -0.692384D+01 -0.753692D+00
               146           147           148           149           150 
      1   0.228321D+01 -0.567540D+00  0.196269D+01 -0.125178D+02  0.402962D+01
      2   0.171820D+01 -0.159740D+01  0.364766D+01 -0.644826D+01  0.709533D+01
      3   0.412183D+00 -0.665775D-02  0.272985D+01 -0.673169D+01  0.373651D+01
               151           152           153           154           155 
      1  -0.620629D+00  0.672044D+01 -0.456005D+01  0.199581D+01 -0.333572D+01
      2  -0.327374D+01  0.447225D+01 -0.551885D+01  0.466126D+01 -0.131964D+01
      3  -0.583094D+00  0.307789D+01 -0.317820D+01  0.471809D+00 -0.403397D+01
               156           157           158           159           160 
      1   0.852931D+00 -0.173865D+01  0.192154D+01  0.446649D+00 -0.577007D+00
      2   0.392844D+01 -0.265872D+01 -0.112121D+01 -0.158438D+01 -0.224646D+01
      3  -0.711832D+00 -0.410721D+00  0.291899D+01  0.240546D+01  0.418810D+00
               161           162           163           164           165 
      1   0.276075D+01 -0.271248D+00  0.261107D+01  0.463989D+01 -0.668063D+00
      2  -0.606526D-01 -0.133471D+01 -0.123721D+02 -0.680303D+01 -0.513488D+01
      3   0.210497D+01  0.444856D+00  0.856151D+01  0.467354D+01  0.319469D+01
               166           167           168           169           170 
      1   0.267785D+01  0.425904D+01 -0.138613D-01  0.281852D+00  0.256410D+01
      2  -0.646483D+01 -0.735874D+01 -0.386906D+01 -0.445660D+01 -0.293584D+01
      3   0.646456D+01  0.596751D+01  0.398223D+01  0.142785D+01  0.181066D+01
               171           172           173           174           175 
      1   0.679996D+00 -0.233000D+01 -0.183859D+01 -0.333537D+01 -0.131313D+01
      2  -0.375443D+01  0.116279D+01  0.186373D+01 -0.116684D+00  0.141678D+01
      3   0.268152D+01  0.146483D+02  0.141714D+02  0.695959D+00  0.107863D+02
               176           177           178           179           180 
      1  -0.350469D+01 -0.356350D+01 -0.744576D+00 -0.732093D+00 -0.443243D-01
      2   0.104638D+01 -0.664159D+00 -0.111610D+01 -0.153044D+01  0.715839D+00
      3   0.171550D+02  0.637983D+00  0.154928D+01  0.254710D+01  0.259019D+01
               181           182           183           184           185 
      1  -0.492149D+01  0.274198D+01  0.476830D+01  0.306601D+01 -0.322209D+01
      2  -0.644845D+01  0.357989D+01  0.688265D+01  0.290398D+01 -0.337408D+01
      3  -0.306878D+01 -0.308845D+01  0.131680D+01  0.213251D+01  0.389666D+01
               186           187           188           189           190 
      1  -0.288050D+01  0.341722D+01 -0.121895D+01 -0.202192D+01  0.127582D+01
      2  -0.261118D+01  0.414651D+01 -0.250162D+01 -0.282910D+01  0.136814D+01
      3   0.617749D+00  0.557608D+00  0.345836D+01 -0.525247D+00  0.484487D+00
               191           192           193           194           195 
      1   0.169797D+00  0.222503D+01 -0.100164D+00  0.200672D+01  0.410725D+00
      2   0.160628D+00  0.255704D+01  0.137627D+00  0.147416D+01  0.120230D+01
      3   0.181290D+00 -0.138930D+01  0.100592D+01 -0.636416D+00 -0.147287D+01
               196           197           198           199           200 
      1   0.338410D+01  0.256918D+01  0.166512D+02 -0.842418D-01  0.474345D+00
      2   0.517324D+00 -0.235776D+01  0.185882D+02 -0.191443D+00 -0.484259D+00
      3  -0.196117D+01 -0.404509D+01  0.588504D+00  0.150044D+01 -0.661687D-01
               201           202           203           204           205 
      1  -0.138649D+00  0.518019D+01  0.696838D-03 -0.147804D+01  0.920437D+00
      2  -0.432208D+00  0.175934D+01  0.168534D+01 -0.164254D-01 -0.390298D+01
      3  -0.521148D+00  0.817456D+00  0.331908D+00 -0.844613D+00 -0.255196D+01
               206           207           208           209           210 
      1   0.256641D+01  0.388107D+01 -0.162292D+01  0.615064D-01  0.284177D-01
      2   0.659150D+00  0.321676D+01 -0.123111D+01  0.423073D+00 -0.829358D+00
      3  -0.150136D+01  0.351191D+00 -0.287302D+01 -0.579779D+00  0.485594D-01
               211           212           213           214           215 
      1   0.612740D+01 -0.593172D+00 -0.285609D-01  0.217573D+01  0.436944D+01
      2  -0.134876D+01 -0.201014D+01  0.300145D+01 -0.292280D+01  0.274977D+01
      3   0.902283D+01 -0.330559D+00  0.197224D+01  0.315436D+01  0.326307D+01
               216           217           218           219           220 
      1  -0.241330D+00  0.351432D+00 -0.508024D+00 -0.804486D+00 -0.218924D+01
      2  -0.103564D+02  0.443494D-01  0.132144D+01  0.368284D+01  0.405437D+01
      3  -0.346683D+01  0.161669D+01 -0.251439D+01 -0.189184D+01 -0.694453D+01
               221           222           223           224           225 
      1   0.282095D+01  0.247447D+01 -0.259749D+01  0.424833D+01  0.487582D+01
      2  -0.817715D+01 -0.117132D+02  0.902036D+01 -0.703179D+01 -0.256721D+02
      3   0.633291D+01  0.104966D+02 -0.400871D+01  0.918451D+01  0.997273D+01
               226           227           228           229           230 
      1  -0.151312D+01 -0.104417D+00 -0.106471D+01 -0.864520D+00 -0.336578D+00
      2   0.158715D+02  0.863612D+00  0.110439D+02  0.278986D+00  0.816558D+00
      3   0.300518D+01 -0.646706D+01  0.512156D+00 -0.276493D+01 -0.770833D+00
               231           232           233           234           235 
      1  -0.523398D+00 -0.118937D+01  0.828698D+00 -0.704529D+00  0.179466D+00
      2  -0.108115D+01  0.977716D+01 -0.235055D+00  0.892290D+01  0.100434D+01
      3  -0.552506D+00  0.537308D+00 -0.352609D+01  0.106550D+01  0.322657D-01
               236           237           238           239           240 
      1   0.686903D+00 -0.131254D+00 -0.189615D+01 -0.566815D+01 -0.390646D+00
      2   0.183679D+01  0.452548D+00  0.674698D+00 -0.921029D+01  0.723921D+01
      3   0.334264D+01 -0.217259D+01 -0.635994D+01 -0.333234D+02  0.120028D+02
               241           242           243 
      1  -0.140609D-01  0.192349D+01 -0.104287D-01
      2   0.346057D+01  0.576973D+01 -0.752361D+01
      3   0.835968D+00  0.857697D+01 -0.641108D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.111561D+01  0.179864D+02  0.167490D+02  0.161255D+02  0.122874D+02
      2   0.220832D+01 -0.147665D+02 -0.121549D+02 -0.133887D+02  0.438782D+01
      3  -0.332393D+01 -0.321986D+01 -0.459415D+01 -0.273680D+01 -0.166752D+02
      4   0.193531D+02 -0.232072D+01 -0.112473D+02 -0.921443D+00 -0.975413D+01
      5   0.237092D+02 -0.169305D+02 -0.185517D+02 -0.180033D+02  0.967659D+01
      6  -0.171728D+02 -0.477923D+01  0.501606D+01 -0.305075D+01  0.216817D+01
                 6             7             8             9            10 
      1  -0.515522D+01  0.124879D+02 -0.527294D+01 -0.139742D+02 -0.206558D+02
      2  -0.286699D+01 -0.796577D+01 -0.373508D+01 -0.207540D+01  0.218357D+02
      3   0.802221D+01 -0.452211D+01  0.900802D+01  0.160496D+02 -0.117989D+01
      4   0.140744D+02 -0.112609D+02  0.127249D+02  0.540161D+00 -0.346662D+02
      5  -0.514027D+00 -0.165228D+02  0.699801D+00 -0.744351D+01 -0.114293D+02
      6  -0.121187D+02  0.455085D+01 -0.104238D+02  0.780305D+01  0.527621D+01
                11            12            13            14            15 
      1  -0.199157D+02 -0.698178D+01 -0.243642D+02 -0.232656D+02 -0.451847D+01
      2   0.125763D+02  0.329499D+01  0.153379D+02  0.774032D+01  0.677161D+01
      3   0.733933D+01  0.368679D+01  0.902632D+01  0.155253D+02 -0.225315D+01
      4  -0.135492D+01  0.386377D+01 -0.149229D+01 -0.463024D+01 -0.145346D+02
      5   0.241579D+01  0.915809D+01  0.444052D+01 -0.123650D+02  0.157176D+01
      6  -0.375781D+01 -0.981773D+00 -0.193090D+01  0.109146D+02  0.282033D+00
                16            17            18            19            20 
      1   0.211086D+01 -0.358372D+01  0.110362D+02  0.625794D+02  0.863494D+01
      2  -0.921029D+01  0.919670D+01 -0.455951D+01 -0.617809D+02 -0.104629D+02
      3   0.709943D+01 -0.561298D+01 -0.647673D+01 -0.798508D+00  0.182800D+01
      4   0.784995D+01 -0.178666D+02 -0.202393D+01  0.540829D+01 -0.150819D+02
      5   0.107056D+02 -0.775561D+00  0.186263D+02 -0.721524D+01 -0.370528D+01
      6  -0.279297D+01 -0.902401D+00 -0.910091D+01 -0.133737D+02 -0.366925D+01
                21            22            23            24            25 
      1   0.319554D+01  0.105139D+02  0.906259D+01 -0.167000D+01  0.219293D+01
      2  -0.431930D+01 -0.147230D+02 -0.109243D+02 -0.390478D+01  0.857886D+00
      3   0.112375D+01  0.420903D+01  0.186170D+01  0.557478D+01 -0.305082D+01
      4  -0.371203D+01 -0.315106D+02 -0.537424D+01  0.372085D+01 -0.836913D+01
      5   0.777411D+00 -0.823078D+01  0.205384D+00  0.502803D+01 -0.332905D+01
      6  -0.121080D+01 -0.774177D+01 -0.385085D+01  0.163527D+01 -0.134330D+01
                26            27            28            29            30 
      1  -0.159722D+01  0.749758D+01 -0.131015D+03 -0.619888D+01 -0.466687D+01
      2  -0.446795D+01  0.107154D+02  0.964351D+02  0.468060D+01  0.277281D+01
      3   0.606517D+01 -0.182130D+02  0.345803D+02  0.151828D+01  0.189406D+01
      4   0.595254D+01  0.486814D+01  0.251474D+01 -0.769337D+01 -0.956041D+00
      5   0.331946D+01 -0.690029D+01  0.493619D+01 -0.990965D+00 -0.100157D+02
      6   0.343860D+01  0.234367D+01  0.171806D+02  0.437031D+01  0.134759D+01
                31            32            33            34            35 
      1  -0.310612D+02 -0.261800D+02 -0.795056D+01  0.289644D+02 -0.436926D+01
      2   0.270255D+02  0.245798D+02  0.442951D+01 -0.168811D+02  0.498760D+01
      3   0.403573D+01  0.160027D+01  0.352105D+01 -0.120833D+02 -0.618344D+00
      4  -0.853764D+01 -0.849991D+01 -0.204859D+01 -0.105728D+01 -0.890501D+00
      5  -0.102711D+01 -0.460118D+00 -0.234629D+01  0.117078D+01  0.166722D+01
      6   0.278178D+01  0.647246D+01  0.401602D+01 -0.674232D+00 -0.439294D+00
                36            37            38            39            40 
      1  -0.392552D+01  0.157187D+03  0.106430D+02  0.951433D+01  0.325235D+02
      2  -0.938532D+00 -0.110635D+03 -0.669240D+01 -0.627639D+01 -0.167535D+02
      3   0.486405D+01 -0.465517D+02 -0.395056D+01 -0.323794D+01 -0.157700D+02
      4   0.209602D+01 -0.505222D+01  0.149513D+02  0.583270D+00  0.309332D+02
      5  -0.172904D+01  0.124373D+02  0.216956D+01  0.189407D+02  0.648756D+01
      6   0.534014D+01 -0.180410D+02 -0.435774D+01 -0.280835D+01 -0.113949D+02
                41            42            43            44            45 
      1   0.410349D+01 -0.243548D+01 -0.306474D+02 -0.814250D+01  0.131492D+02
      2   0.276198D+01 -0.343304D+01  0.201345D+02  0.306851D+01 -0.236713D+01
      3  -0.686547D+01  0.586853D+01  0.105130D+02  0.507399D+01 -0.107821D+02
      4   0.721714D+01 -0.326192D+01  0.254168D+01 -0.211165D+01 -0.662549D+01
      5  -0.272400D+01 -0.501128D+01  0.262494D+02 -0.455782D+01  0.762751D+01
      6  -0.103412D+01  0.475235D+01 -0.200496D+01  0.269244D+01  0.589673D+01
                46            47            48            49            50 
      1  -0.651452D+02 -0.489925D+01  0.539929D+01  0.604940D+01 -0.323998D+01
      2   0.467562D+02 -0.177231D+01  0.930378D-01 -0.925960D+01  0.673219D+01
      3   0.183890D+02  0.667157D+01 -0.549233D+01  0.321020D+01 -0.349221D+01
      4  -0.401703D+01 -0.152235D+02  0.401086D+01 -0.744330D+00  0.248290D+01
      5  -0.675998D+01  0.987068D+00 -0.145862D+02  0.237457D+02 -0.585793D+01
      6   0.120530D+02  0.135710D+01  0.514799D-01 -0.242889D+01  0.546693D+01
                51            52            53            54            55 
      1   0.791482D+01 -0.525127D+02  0.329922D+01 -0.162867D+02  0.322402D+02
      2  -0.943458D+01  0.466728D+02  0.175268D+01  0.208618D+02 -0.188019D+02
      3   0.151976D+01  0.583988D+01 -0.505190D+01 -0.457506D+01 -0.134383D+02
      4  -0.733591D+01  0.246740D+02 -0.799489D+01  0.110567D+02 -0.820604D+01
      5   0.944737D+01 -0.596525D+02  0.612140D+01 -0.454056D+02  0.220035D+02
      6   0.304722D+01  0.133494D+02 -0.594140D+01  0.745339D+01 -0.213335D+01
                56            57            58            59            60 
      1  -0.350081D+01  0.121359D+02 -0.260646D+02 -0.572441D+00 -0.270034D+01
      2   0.275892D+01 -0.813202D+01  0.162720D+02  0.149569D+01  0.311610D+01
      3   0.741889D+00 -0.400389D+01  0.979263D+01 -0.923252D+00 -0.415766D+00
      4   0.125763D+02 -0.480044D+01  0.235064D+02 -0.160024D+02  0.209263D+02
      5  -0.382604D+01  0.205985D+02 -0.182079D+02  0.202882D+02 -0.132471D+02
      6   0.194830D+01 -0.144972D+01  0.109372D+02 -0.853073D+01  0.134655D+02
                61            62            63            64            65 
      1   0.747286D+02  0.382810D+01  0.248765D+01 -0.190034D+01  0.345745D+02
      2  -0.572589D+02 -0.273074D+01 -0.315088D+02 -0.191837D+02 -0.240508D+02
      3  -0.174697D+02 -0.109736D+01  0.290211D+02  0.210841D+02 -0.105237D+02
      4  -0.142385D+02  0.182227D+02 -0.158142D+02  0.341405D+02 -0.177593D+02
      5   0.675357D+02 -0.101236D+02  0.774942D+02  0.867886D+01 -0.242939D+01
      6  -0.119283D+02  0.145749D+02 -0.958688D+01 -0.736580D+01  0.627138D+01
                66            67            68            69            70 
      1   0.104396D+02  0.305727D+02  0.422136D+01  0.109901D+00  0.959424D+01
      2  -0.510285D+00 -0.192996D+02 -0.410720D+01 -0.674371D+01  0.533165D+01
      3  -0.992930D+01 -0.112731D+02 -0.114157D+00  0.663381D+01 -0.149259D+02
      4  -0.119595D+02 -0.133777D+02 -0.653351D+01  0.144281D+02 -0.174535D+02
      5  -0.460250D+01 -0.385524D+01  0.140895D+02 -0.557689D+01 -0.639609D+01
      6   0.408122D+01  0.763171D+01 -0.124523D+02  0.517330D+01  0.546739D+01
                71            72            73            74            75 
      1  -0.209093D+01 -0.326872D+01 -0.739985D+01 -0.998480D+01  0.280767D+01
      2  -0.942423D+01  0.164475D+02  0.526635D+01  0.809395D+01  0.493381D+01
      3   0.115152D+02 -0.131788D+02  0.213350D+01  0.189086D+01 -0.774148D+01
      4   0.166785D+02  0.345772D+01 -0.777859D+01  0.111964D+02  0.106875D+02
      5  -0.905173D+00 -0.323042D+02  0.997978D+01  0.103586D+02 -0.246633D+02
      6   0.495014D+01  0.182351D+02  0.300471D+01  0.759130D+01 -0.268700D+01
                76            77            78            79            80 
      1  -0.120565D+02  0.306460D+02  0.173677D+02  0.968294D+01  0.179993D+02
      2   0.100864D+02 -0.142667D+02 -0.963509D+01  0.350944D+01 -0.103227D+02
      3   0.197007D+01 -0.163793D+02 -0.773259D+01 -0.131924D+02 -0.767659D+01
      4   0.233908D+02  0.197640D+02  0.903984D+01  0.197858D+02  0.121681D+02
      5   0.173873D+02  0.687302D+01  0.251157D+01 -0.361694D+02 -0.128626D+00
      6   0.678334D+01  0.140536D+01  0.721821D+00 -0.520950D+01  0.160422D+01
                81            82            83            84            85 
      1  -0.298889D+02 -0.373362D+02  0.641746D+01  0.544319D+01  0.982180D+01
      2   0.224798D+02  0.411382D+02  0.500647D+01 -0.597260D+01  0.380978D+01
      3   0.740915D+01 -0.380204D+01 -0.114239D+02  0.529412D+00 -0.136316D+02
      4  -0.458017D+01  0.231044D+02  0.180268D+02 -0.824733D+00  0.233915D+02
      5  -0.153009D+02  0.524659D+01  0.566860D+00  0.246369D+01 -0.890951D+00
      6   0.207675D+01  0.108720D+02 -0.221773D+01  0.253669D+01 -0.932620D+00
                86            87            88            89            90 
      1   0.632334D+01 -0.134018D+01  0.184590D+02  0.279713D+01  0.220358D+02
      2  -0.141818D+00  0.204037D+01 -0.189151D+02 -0.257353D+01 -0.242555D+02
      3  -0.618152D+01 -0.700192D+00  0.456076D+00 -0.223601D+00  0.221974D+01
      4   0.322575D+00 -0.691667D+01 -0.609863D+01 -0.120678D+02 -0.115069D+02
      5  -0.272409D+01 -0.104819D+02  0.234041D+01 -0.145525D+02  0.201992D+01
      6  -0.873048D+01 -0.185356D+02 -0.176140D+01 -0.280491D+02 -0.410101D+01
                91            92            93            94            95 
      1  -0.212376D+02  0.777557D+01 -0.381520D+02  0.177358D+02  0.119541D+02
      2   0.913189D+01 -0.191309D+01  0.181815D+02 -0.144989D+02 -0.112378D+02
      3   0.121057D+02 -0.586248D+01  0.199705D+02 -0.323684D+01 -0.716306D+00
      4   0.130472D+02  0.127038D+02 -0.104826D+02 -0.367321D+01 -0.307519D+02
      5  -0.432005D+02 -0.959801D+01 -0.297575D+01 -0.116840D+02  0.249355D+02
      6  -0.628278D+01 -0.418943D+01  0.224236D+01  0.261954D+01  0.962866D+01
                96            97            98            99           100 
      1  -0.916450D+01 -0.541499D+02 -0.787912D+01 -0.192620D+02  0.339935D+02
      2   0.154698D+02  0.251058D+02  0.110797D+02  0.150775D+02 -0.225036D+02
      3  -0.630531D+01  0.290441D+02 -0.320062D+01  0.418451D+01 -0.114899D+02
      4   0.270113D+02 -0.109690D+02  0.194399D+02  0.112184D+02  0.569101D+01
      5   0.176639D+02 -0.233432D+02  0.113805D+02  0.300824D+02  0.236310D+02
      6  -0.767094D+01  0.329676D+01 -0.430189D+01 -0.593923D+01  0.170575D+01
               101           102           103           104           105 
      1   0.143667D+01  0.156242D+02 -0.531411D+01  0.808156D+00 -0.475359D+01
      2  -0.269089D+00 -0.123133D+02  0.402409D+01 -0.135723D+01  0.407705D+01
      3  -0.116758D+01 -0.331094D+01  0.129002D+01  0.549079D+00  0.676542D+00
      4   0.517655D+01  0.941815D+00  0.553577D+01 -0.332599D+01  0.500138D+01
      5  -0.953166D+00  0.224879D+02 -0.593855D+01  0.596682D+01 -0.479211D+01
      6   0.114583D+01  0.245410D+01  0.198817D+01 -0.228136D+00  0.358994D+01
               106           107           108           109           110 
      1   0.270706D+02 -0.207694D+01  0.184080D+02  0.565047D+02  0.124661D+02
      2  -0.224116D+02  0.270035D+01 -0.223260D+02 -0.284890D+02 -0.439335D+01
      3  -0.465903D+01 -0.623414D+00  0.391802D+01 -0.280157D+02 -0.807278D+01
      4   0.259686D+01  0.894681D+01  0.377633D+01  0.242294D+02  0.128054D+02
      5   0.355762D+02  0.767259D+00  0.396477D+02 -0.213450D+02 -0.615613D+01
      6   0.376430D+01  0.417003D+01  0.491381D+01 -0.615783D+01 -0.298583D+01
               111           112           113           114           115 
      1  -0.166623D+02  0.114960D+02  0.416482D+01 -0.471578D+01 -0.339293D+02
      2   0.838997D+01 -0.353605D+01  0.166228D+01  0.145709D+01  0.177979D+02
      3   0.827229D+01 -0.795993D+01 -0.582710D+01  0.325870D+01  0.161314D+02
      4  -0.867914D+01  0.146640D+02  0.100040D+02 -0.778540D+01 -0.172540D+02
      5   0.186599D+02 -0.658284D+01 -0.701307D+01  0.419832D+01  0.281168D+02
      6   0.416628D+01 -0.375905D+01 -0.255991D+01  0.352926D+01  0.735542D+01
               116           117           118           119           120 
      1  -0.844843D+01  0.181690D+02  0.538725D+00 -0.403087D+00  0.251385D+01
      2   0.265594D+01 -0.133395D+02 -0.347301D+01  0.252633D+00  0.153769D+00
      3   0.579250D+01 -0.482952D+01  0.293429D+01  0.150454D+00 -0.266762D+01
      4  -0.137807D+02  0.963934D+01 -0.134397D+01  0.243105D+01  0.512373D+00
      5   0.666679D+01 -0.209174D+02  0.105735D+01 -0.228624D+00  0.538842D+01
      6   0.423822D+01 -0.630957D+01 -0.357429D+00 -0.144454D+00  0.626265D-02
               121           122           123           124           125 
      1   0.815288D+00 -0.494315D+01  0.443133D+01  0.451012D+00  0.204794D+01
      2   0.593020D-01  0.995054D+00  0.795947D+00 -0.344232D+00  0.224083D+01
      3  -0.874590D+00  0.394809D+01 -0.522727D+01 -0.106780D+00 -0.428877D+01
      4   0.244088D+01 -0.113871D+01  0.127985D+01  0.237906D+00  0.394020D+01
      5  -0.620610D+00  0.101806D+01 -0.257571D+01  0.543236D+01 -0.162066D+01
      6  -0.161395D+00 -0.231057D+01  0.576074D+01 -0.130782D+00  0.470303D+01
               126           127           128           129           130 
      1  -0.210449D+02 -0.366300D+00  0.579236D+01 -0.397502D+01  0.374496D+01
      2  -0.115987D+02  0.424011D+00 -0.763173D+01  0.356947D+01 -0.361562D+01
      3   0.326436D+02 -0.577113D-01  0.183936D+01  0.405553D+00 -0.129339D+00
      4  -0.273975D+01 -0.171718D+01  0.879722D+00 -0.220646D+01  0.300263D+01
      5   0.108751D+02 -0.131020D+01  0.200698D-01  0.191509D-01 -0.132572D-01
      6  -0.311072D+00 -0.462721D+01  0.238484D+01 -0.293341D+01  0.687412D+00
               131           132           133           134           135 
      1  -0.182698D+02  0.755260D+01 -0.687311D+01  0.144861D+02 -0.147792D+02
      2   0.254033D+02 -0.102075D+02  0.426108D+01 -0.195146D+02  0.137074D+02
      3  -0.713355D+01  0.265495D+01  0.261203D+01  0.502847D+01  0.107173D+01
      4   0.100203D+02 -0.377024D+01 -0.498937D+01 -0.787029D+01  0.595424D+01
      5  -0.526425D+01  0.597353D+01  0.702795D+00  0.833213D+01 -0.103733D+02
      6  -0.943111D+01  0.116112D+02 -0.408630D+00  0.155328D+02 -0.155012D+02
               136           137           138           139           140 
      1   0.478793D+01  0.513385D+01  0.312920D+01  0.286261D+01 -0.261204D+02
      2  -0.374491D+01 -0.374005D+01 -0.124242D+01 -0.514061D+00  0.325183D+02
      3  -0.104302D+01 -0.139380D+01 -0.188677D+01 -0.234855D+01 -0.639791D+01
      4   0.387344D+01  0.557605D+01  0.426874D+01  0.820962D+01  0.217389D+02
      5   0.247231D+01  0.315318D+01  0.381465D+01  0.389204D+01  0.110935D+02
      6   0.393946D+01 -0.253387D+00 -0.688525D+00  0.373610D+01  0.256922D+02
               141           142           143           144           145 
      1  -0.127682D+02 -0.125945D+01 -0.218578D+02 -0.205790D+02 -0.187479D+01
      2   0.126910D+02  0.352316D+01  0.205885D+02  0.120625D+02 -0.943918D+00
      3   0.771338D-01 -0.226372D+01  0.126935D+01  0.851645D+01  0.281871D+01
      4   0.109646D+02  0.989180D+01  0.177969D+02  0.131844D+02  0.698498D+00
      5   0.924899D+01  0.696628D+01  0.144482D+02  0.136342D+02 -0.248946D+01
      6   0.199221D+02  0.525609D+01  0.288661D+02  0.255052D+02 -0.843327D+00
               146           147           148           149           150 
      1   0.132362D+01 -0.574891D+01  0.285414D+01 -0.918072D+01  0.100272D+02
      2   0.961648D+00  0.714536D+00 -0.100290D+01 -0.826764D+00  0.700848D+01
      3  -0.228527D+01  0.503438D+01 -0.185124D+01  0.100075D+02 -0.170357D+02
      4   0.320140D+00  0.120480D+01  0.389108D+00  0.150623D+02 -0.872824D+01
      5  -0.240283D+00  0.303569D+01 -0.308621D+01 -0.694407D+01  0.113005D+02
      6   0.258744D+01 -0.158983D+01  0.153032D+01 -0.158325D+02  0.107626D+02
               151           152           153           154           155 
      1  -0.355065D+01  0.679799D+01 -0.957614D+01  0.269761D+02 -0.667205D+01
      2   0.118840D+01  0.410916D+01 -0.711191D+01 -0.193942D+02  0.350255D+01
      3   0.236225D+01 -0.109072D+02  0.166880D+02 -0.758185D+01  0.316951D+01
      4   0.974858D+00 -0.691543D+01  0.657255D+01 -0.206368D+02  0.143944D+02
      5   0.446433D+01  0.516939D+01 -0.795395D+01 -0.364091D+02  0.135714D+02
      6  -0.132044D+01  0.104209D+02 -0.849835D+01  0.117673D+02 -0.866010D+01
               156           157           158           159           160 
      1  -0.815431D+01 -0.726054D+01  0.819376D+00  0.700618D-01 -0.643900D+01
      2   0.140360D+02  0.410087D+01 -0.299486D+00 -0.234593D+01  0.106777D+02
      3  -0.588169D+01  0.315967D+01 -0.519890D+00  0.227587D+01 -0.423865D+01
      4   0.114668D+02  0.129374D+02 -0.106953D+02 -0.945246D+01  0.793826D+01
      5   0.294201D+02  0.131830D+02 -0.105899D+02 -0.108645D+02  0.209441D+02
      6  -0.966768D+01 -0.741252D+01  0.788291D+01  0.949457D+01 -0.689453D+01
               161           162           163           164           165 
      1   0.290426D+00  0.258964D+01 -0.110944D+02 -0.131979D+02 -0.130539D+02
      2  -0.182047D+01 -0.101751D+02  0.555653D+01  0.930127D+01  0.189726D+01
      3   0.153005D+01  0.758545D+01  0.553783D+01  0.389661D+01  0.111566D+02
      4  -0.600540D+01 -0.798182D+01  0.175029D+01 -0.692829D+00  0.525150D+00
      5  -0.788068D+01 -0.198577D+02  0.655138D+01  0.447031D+01  0.137719D+01
      6   0.704344D+01  0.764740D+01  0.839732D+01  0.106485D+02  0.752955D+01
               166           167           168           169           170 
      1  -0.105783D+02 -0.159199D+02 -0.883507D+01 -0.659603D+01 -0.483613D+01
      2   0.759997D+01  0.119419D+02  0.232520D+01  0.111724D+01  0.834063D+00
      3   0.297829D+01  0.397800D+01  0.650986D+01  0.547879D+01  0.400207D+01
      4   0.167523D+01 -0.267642D+01 -0.333886D+01  0.108179D+01 -0.172283D+01
      5   0.638473D+01  0.485300D+00 -0.183527D+01  0.407835D+01  0.194385D+00
      6   0.641842D+01  0.123071D+02  0.106715D+02  0.374647D+01  0.729546D+01
               171           172           173           174           175 
      1  -0.720209D+01 -0.140314D+02 -0.244713D+02 -0.962541D+00 -0.151935D+02
      2   0.193586D+00  0.157096D+02  0.285369D+02  0.932602D+00  0.150823D+02
      3   0.700851D+01 -0.167827D+01 -0.406563D+01  0.299387D-01  0.111198D+00
      4  -0.464696D+00  0.480455D+01 -0.603153D+00  0.248280D+01  0.573046D+01
      5   0.826076D+00 -0.443222D+01 -0.146757D+01 -0.194602D+01 -0.212251D+01
      6   0.521412D+01  0.276564D+00 -0.360135D+01  0.546134D+01 -0.137226D+01
               176           177           178           179           180 
      1  -0.263638D+02 -0.518631D+00 -0.315382D+01 -0.254962D+01 -0.460860D+01
      2   0.361635D+02  0.201723D+01  0.128126D+01  0.572380D+01  0.277654D+01
      3  -0.979969D+01 -0.149860D+01  0.187256D+01 -0.317418D+01  0.183206D+01
      4  -0.741164D+01 -0.776322D+00  0.301726D+01 -0.379457D+01 -0.383851D+00
      5  -0.323988D+01 -0.198824D+01  0.379399D+00 -0.161410D+01  0.173132D+01
      6  -0.266272D+01  0.514807D+01  0.216026D+01  0.493749D+01 -0.502350D+00
               181           182           183           184           185 
      1   0.422466D+02 -0.168996D+02 -0.742660D+01 -0.145109D+02  0.507241D+01
      2  -0.757833D+01 -0.373710D+01  0.126403D+01 -0.203227D+01  0.109999D+02
      3  -0.346682D+02  0.206367D+02  0.616257D+01  0.165432D+02 -0.160723D+02
      4  -0.485643D+02  0.344821D+02  0.718321D+01  0.274925D+02 -0.250610D+02
      5  -0.346712D+01  0.958595D+00  0.997203D+01  0.159999D+01 -0.297670D+01
      6   0.339244D+01 -0.150261D+01 -0.708125D+01 -0.169143D+01  0.226625D+01
               186           187           188           189           190 
      1   0.123881D+01 -0.117290D+02  0.266051D+01  0.514050D+01  0.368158D+01
      2   0.248778D+01  0.470327D+00  0.556614D+01 -0.245565D+01 -0.225353D+01
      3  -0.372660D+01  0.112587D+02 -0.822665D+01 -0.268484D+01 -0.142805D+01
      4  -0.596531D+01  0.163645D+02 -0.148039D+02 -0.867090D+01 -0.625465D+01
      5  -0.327271D+01  0.909767D+01 -0.510566D+01 -0.440434D+01  0.670127D+01
      6   0.368131D+01 -0.682336D+01  0.429421D+01  0.335090D+01 -0.276654D+01
               191           192           193           194           195 
      1  -0.386123D+01  0.395200D+01 -0.304676D+00 -0.195560D+01  0.207491D+01
      2   0.210803D+01 -0.433905D+01 -0.183376D+00 -0.246324D+00 -0.409151D+01
      3   0.175319D+01  0.387053D+00  0.488052D+00  0.220192D+01  0.201660D+01
      4   0.440441D+01 -0.262763D+01  0.204103D+01  0.157171D+01  0.285701D+01
      5  -0.115234D+01  0.997046D+01  0.146154D+01  0.296333D+01  0.259334D+01
      6   0.582856D+00 -0.356529D+01  0.198586D+00 -0.105003D+01  0.401401D+01
               196           197           198           199           200 
      1   0.435954D+01  0.444617D+01 -0.955150D+01 -0.202744D+01 -0.837487D+00
      2  -0.617586D+01 -0.478843D+01 -0.162203D+02  0.202766D+01  0.715987D+00
      3   0.181632D+01  0.342260D+00  0.257718D+02 -0.219709D-03  0.121501D+00
      4  -0.608999D+01  0.850292D+01 -0.848595D+01  0.918921D-01  0.129104D+01
      5   0.151526D+02 -0.621149D+01  0.413049D+02 -0.374392D+00 -0.453192D+00
      6  -0.704978D+01  0.984244D+01 -0.282117D+02 -0.524736D+00  0.202559D+00
               201           202           203           204           205 
      1   0.557321D+00 -0.228840D+01 -0.179178D+01  0.519884D+01  0.571099D+01
      2  -0.553975D+00 -0.202179D+01  0.100830D+01 -0.266702D+01 -0.293910D+01
      3  -0.334526D-02  0.431019D+01  0.783484D+00 -0.253182D+01 -0.277189D+01
      4  -0.701480D+00  0.807363D+00 -0.122374D+01  0.191606D+01 -0.383253D+00
      5   0.224538D+01 -0.576353D+00  0.992672D+00 -0.795592D+00  0.164774D+01
      6   0.695386D-02  0.977612D+00 -0.363936D+01  0.370491D+01  0.780461D+00
               206           207           208           209           210 
      1   0.647314D+01 -0.126522D+02  0.211562D+01  0.240743D+01 -0.547512D+01
      2  -0.463790D+01  0.109090D+01 -0.298407D+01 -0.133655D+01  0.197410D+01
      3  -0.183523D+01  0.115613D+02  0.868443D+00 -0.107088D+01  0.350101D+01
      4   0.193257D+01 -0.300612D+01  0.257151D+01  0.118934D+01 -0.153142D+01
      5  -0.192513D+01  0.410040D+01 -0.478109D+01 -0.169274D+01  0.386467D+01
      6   0.497620D+01 -0.716317D+01 -0.182973D+01  0.256371D+00  0.393850D+00
               211           212           213           214           215 
      1   0.272495D+01 -0.442284D+01  0.405054D+01 -0.243631D+01  0.447379D+01
      2  -0.440910D+01  0.788960D+00  0.175573D+01  0.352079D+01  0.235623D+00
      3   0.168414D+01  0.363388D+01 -0.580627D+01 -0.108448D+01 -0.470941D+01
      4  -0.219491D+01  0.164051D+01 -0.242788D+01 -0.369880D+01 -0.390714D+01
      5  -0.516874D+01 -0.337614D+01  0.683558D+01  0.751385D+01  0.563325D+01
      6   0.135559D+01 -0.306633D+01  0.428822D+01  0.247040D+01  0.632166D+01
               216           217           218           219           220 
      1  -0.181373D+02  0.157376D+02 -0.620697D+01 -0.656539D+01 -0.181495D+02
      2  -0.733681D+01 -0.112419D+02  0.379595D+01  0.515989D+01  0.119601D+02
      3   0.254741D+02 -0.449568D+01  0.241103D+01  0.140551D+01  0.618941D+01
      4   0.434520D+01 -0.687793D+01  0.343143D+01  0.491300D+01  0.118819D+02
      5  -0.203890D+02 -0.814295D+01  0.561493D+01  0.109239D+02  0.156597D+02
      6  -0.636931D+01  0.260775D+01 -0.405586D+00 -0.720692D+00 -0.409241D+01
               221           222           223           224           225 
      1   0.138748D+01  0.501019D+01 -0.228317D+02 -0.586758D+00  0.935862D+01
      2  -0.160242D+01 -0.949965D+01  0.178063D+02 -0.472799D+01 -0.220391D+02
      3   0.214933D+00  0.448946D+01  0.502537D+01  0.531475D+01  0.126805D+02
      4  -0.127629D+02 -0.187377D+02  0.420663D+01 -0.181132D+02 -0.156689D+02
      5  -0.175458D+02 -0.249382D+02  0.330771D+02 -0.142043D+02 -0.565648D+02
      6   0.558537D+01  0.828326D+01 -0.247490D+01  0.694532D+01  0.629713D+01
               226           227           228           229           230 
      1   0.980302D+02  0.185031D+01  0.224396D+02 -0.538740D+01  0.856015D+01
      2  -0.467085D+02  0.305762D+00 -0.975040D+01  0.371351D+01 -0.259118D+01
      3  -0.513217D+02 -0.215607D+01 -0.126892D+02  0.167389D+01 -0.596897D+01
      4   0.634303D+01  0.130563D+02  0.260649D+01  0.130959D+02  0.273216D+01
      5   0.184221D+02  0.172241D+01  0.166534D+02  0.644384D+00  0.159199D+01
      6   0.302407D+01 -0.139654D+00  0.162624D+01  0.233455D+00 -0.594002D+00
               231           232           233           234           235 
      1   0.436645D+00  0.478794D+02  0.237053D+01  0.186586D+02  0.275110D+01
      2  -0.900375D+00 -0.227754D+02 -0.107729D+01 -0.105337D+02  0.264563D-01
      3   0.463730D+00 -0.251041D+02 -0.129325D+01 -0.812490D+01 -0.277756D+01
      4   0.195247D+01  0.480707D+01  0.715271D+01  0.168828D+00  0.321930D+01
      5  -0.266139D+01  0.213648D+02 -0.380282D+00  0.159664D+02  0.292844D+01
      6   0.206907D+01  0.235555D+01  0.162584D+01  0.244945D+01 -0.202083D+01
               236           237           238           239           240 
      1   0.824181D+01  0.455610D+00  0.208758D+02 -0.906467D+01  0.297570D+01
      2  -0.564856D+01 -0.690168D-01 -0.619834D+01  0.221819D+02 -0.457911D+01
      3  -0.259325D+01 -0.386593D+00 -0.146775D+02 -0.131172D+02  0.160341D+01
      4  -0.343074D+00  0.157833D+01  0.211270D+02  0.590118D+02 -0.206933D+02
      5   0.915601D+00 -0.220793D+00 -0.887806D+01 -0.190990D+02  0.145283D+02
      6   0.131738D+01 -0.153565D+01 -0.451157D+01 -0.167166D+02  0.109102D+02
               241           242           243 
      1  -0.584983D+01  0.325421D+01  0.139998D+01
      2   0.335528D+01 -0.298549D+01 -0.137755D+01
      3   0.249455D+01 -0.268724D+00 -0.224307D-01
      4  -0.410600D+01 -0.156139D+02  0.110748D+02
      5   0.126975D+02  0.113119D+02 -0.169935D+02
      6   0.198985D+01  0.940440D+01 -0.583195D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:38:29 2021, MaxMem=  5368709120 cpu:           22736.8 elap:            2843.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.24556 -10.38735 -10.31786 -10.31685 -10.30876
 Alpha  occ. eigenvalues --  -10.30186 -10.30157 -10.29986 -10.29553 -10.28926
 Alpha  occ. eigenvalues --  -10.28905  -1.12788  -0.96698  -0.89129  -0.84554
 Alpha  occ. eigenvalues --   -0.83650  -0.78450  -0.76999  -0.70525  -0.68563
 Alpha  occ. eigenvalues --   -0.63025  -0.60672  -0.57789  -0.56492  -0.54952
 Alpha  occ. eigenvalues --   -0.53745  -0.53072  -0.52614  -0.50685  -0.49400
 Alpha  occ. eigenvalues --   -0.47924  -0.47789  -0.46721  -0.45204  -0.44700
 Alpha  occ. eigenvalues --   -0.44167  -0.43353  -0.40239  -0.39345  -0.38415
 Alpha  occ. eigenvalues --   -0.34034  -0.33404
 Alpha virt. eigenvalues --    0.00953   0.08062   0.09412   0.10257   0.10757
 Alpha virt. eigenvalues --    0.11845   0.11960   0.13560   0.13932   0.14121
 Alpha virt. eigenvalues --    0.15098   0.15651   0.16456   0.16981   0.17673
 Alpha virt. eigenvalues --    0.18329   0.18637   0.18958   0.19633   0.20215
 Alpha virt. eigenvalues --    0.20652   0.21230   0.22296   0.22648   0.22982
 Alpha virt. eigenvalues --    0.23568   0.24103   0.24757   0.25092   0.26268
 Alpha virt. eigenvalues --    0.26700   0.27321   0.27907   0.28467   0.28821
 Alpha virt. eigenvalues --    0.29851   0.29962   0.30454   0.31726   0.31992
 Alpha virt. eigenvalues --    0.32790   0.34302   0.34619   0.35164   0.35435
 Alpha virt. eigenvalues --    0.36441   0.36942   0.37349   0.37499   0.38356
 Alpha virt. eigenvalues --    0.38786   0.39490   0.39607   0.39855   0.40369
 Alpha virt. eigenvalues --    0.40725   0.41065   0.41529   0.41713   0.41990
 Alpha virt. eigenvalues --    0.42544   0.42938   0.43044   0.43189   0.44125
 Alpha virt. eigenvalues --    0.44207   0.44728   0.45087   0.45399   0.45578
 Alpha virt. eigenvalues --    0.46182   0.46912   0.47007   0.47639   0.48182
 Alpha virt. eigenvalues --    0.48979   0.49611   0.49782   0.50508   0.50773
 Alpha virt. eigenvalues --    0.51319   0.51793   0.52007   0.52366   0.53452
 Alpha virt. eigenvalues --    0.53863   0.54167   0.54474   0.54628   0.54846
 Alpha virt. eigenvalues --    0.56057   0.56113   0.57022   0.57315   0.57740
 Alpha virt. eigenvalues --    0.58086   0.58769   0.58933   0.59503   0.59980
 Alpha virt. eigenvalues --    0.60283   0.60479   0.61273   0.61982   0.62294
 Alpha virt. eigenvalues --    0.62693   0.63053   0.63687   0.64625   0.65277
 Alpha virt. eigenvalues --    0.65576   0.66377   0.66832   0.67158   0.67746
 Alpha virt. eigenvalues --    0.68778   0.69445   0.69721   0.70616   0.70803
 Alpha virt. eigenvalues --    0.71917   0.72532   0.72887   0.73579   0.74318
 Alpha virt. eigenvalues --    0.75008   0.75689   0.76301   0.76951   0.78177
 Alpha virt. eigenvalues --    0.78458   0.79768   0.80414   0.81246   0.82385
 Alpha virt. eigenvalues --    0.84622   0.84910   0.86055   0.86402   0.87094
 Alpha virt. eigenvalues --    0.87454   0.87733   0.89820   0.91447   0.94769
 Alpha virt. eigenvalues --    0.96398   0.98408   0.99707   1.00830   1.02208
 Alpha virt. eigenvalues --    1.03325   1.04144   1.05195   1.05363   1.06179
 Alpha virt. eigenvalues --    1.06928   1.07666   1.08363   1.09225   1.09503
 Alpha virt. eigenvalues --    1.10897   1.11381   1.12625   1.12883   1.13500
 Alpha virt. eigenvalues --    1.14228   1.14748   1.16120   1.17148   1.18103
 Alpha virt. eigenvalues --    1.20879   1.21406   1.23354   1.24624   1.27079
 Alpha virt. eigenvalues --    1.27323   1.29774   1.30649   1.31460   1.33199
 Alpha virt. eigenvalues --    1.35505   1.36646   1.37267   1.38056   1.40218
 Alpha virt. eigenvalues --    1.40253   1.42022   1.43960   1.44811   1.47013
 Alpha virt. eigenvalues --    1.48058   1.48308   1.49626   1.51883   1.53257
 Alpha virt. eigenvalues --    1.55238   1.57022   1.59808   1.61820   1.64254
 Alpha virt. eigenvalues --    1.65201   1.65729   1.66510   1.68121   1.68935
 Alpha virt. eigenvalues --    1.69752   1.71916   1.73026   1.74937   1.75862
 Alpha virt. eigenvalues --    1.77393   1.81171   1.81676   1.83255   1.85182
 Alpha virt. eigenvalues --    1.86041   1.86344   1.87794   1.89288   1.90826
 Alpha virt. eigenvalues --    1.92061   1.92627   1.94253   1.95488   1.96812
 Alpha virt. eigenvalues --    1.98374   2.00410   2.01167   2.03908   2.05794
 Alpha virt. eigenvalues --    2.06362   2.06655   2.07635   2.09983   2.10213
 Alpha virt. eigenvalues --    2.11215   2.13268   2.13547   2.13930   2.14464
 Alpha virt. eigenvalues --    2.16196   2.16932   2.20569   2.21665   2.22872
 Alpha virt. eigenvalues --    2.23960   2.24302   2.27599   2.28700   2.29608
 Alpha virt. eigenvalues --    2.31911   2.32488   2.33070   2.33611   2.35527
 Alpha virt. eigenvalues --    2.37232   2.38903   2.39412   2.41433   2.42834
 Alpha virt. eigenvalues --    2.47151   2.48226   2.49185   2.50964   2.52579
 Alpha virt. eigenvalues --    2.55260   2.57259   2.58918   2.61003   2.62563
 Alpha virt. eigenvalues --    2.63773   2.64809   2.65242   2.66795   2.69735
 Alpha virt. eigenvalues --    2.71843   2.73952   2.75313   2.76393   2.79586
 Alpha virt. eigenvalues --    2.80793   2.82612   2.86870   2.90537   2.93397
 Alpha virt. eigenvalues --    2.96088   3.00270   3.01361   3.02304   3.06555
 Alpha virt. eigenvalues --    3.07908   3.09836   3.11213   3.11809   3.13926
 Alpha virt. eigenvalues --    3.16575   3.19736   3.21834   3.22998   3.24176
 Alpha virt. eigenvalues --    3.26045   3.27773   3.29481   3.29805   3.32944
 Alpha virt. eigenvalues --    3.38001   3.40619   3.63088   3.91388
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.908307  -0.458915   0.087069  -0.094294  -0.026770   0.001789
     2  C   -0.458915  11.362478  -0.716734   0.151141   0.058767   0.001556
     3  C    0.087069  -0.716734   7.329744  -0.558461  -0.547472   0.146656
     4  C   -0.094294   0.151141  -0.558461   7.288746   0.172227   0.099686
     5  C   -0.026770   0.058767  -0.547472   0.172227   8.849777  -0.751003
     6  C    0.001789   0.001556   0.146656   0.099686  -0.751003   5.690734
     7  O    0.000857  -0.002601   0.027935  -0.135732  -0.088280   0.342302
     8  C   -0.149224  -0.654636  -0.020532   0.008525   0.032429  -0.000896
     9  C    0.001283  -0.406667   0.098073   0.016260  -0.005949  -0.001017
    10  C   -0.048042   0.256362   0.011673  -0.084733   0.082177  -0.001705
    11  C    0.000043   0.000101   0.002874   0.061464  -0.126787   0.531412
    12  H    0.062680  -0.070204   0.133653  -0.004559  -0.002956   0.000073
    13  H   -0.101008  -0.053473   0.008915  -0.011203   0.000914  -0.000029
    14  H    0.088975  -0.272939  -0.327563  -0.560628  -0.504390   0.041463
    15  H    0.016307   0.053084   0.022094  -0.073526  -0.004730   0.002591
    16  H   -0.008582   0.011572   0.031357   0.013096   0.012270  -0.000418
    17  H    0.254199   0.269178  -0.067946   0.004677  -0.006618  -0.000097
    18  H   -0.008438   0.209523  -0.009314  -0.003610   0.002146  -0.000048
    19  H   -0.022794   0.161582   0.006307   0.028399   0.003829   0.001460
    20  H    0.014024   0.208742   0.018189   0.003381  -0.004608   0.000503
    21  H    0.022621   0.202501   0.021436  -0.000059  -0.000515   0.000005
    22  H    0.000381  -0.041325  -0.040985  -0.001571   0.006671  -0.000044
    23  H    0.012470  -0.113101   0.013223  -0.184876  -1.001935   0.099596
    24  H    0.000076  -0.005106  -0.112786  -0.153787   0.581488  -0.358901
    25  H    0.000006   0.000033   0.002292   0.003461  -0.026302   0.088608
    26  H    0.000003  -0.000021  -0.000511  -0.005298   0.056195   0.114445
    27  H    0.000025   0.000055   0.002550   0.002409  -0.018510   0.080818
               7          8          9         10         11         12
     1  C    0.000857  -0.149224   0.001283  -0.048042   0.000043   0.062680
     2  C   -0.002601  -0.654636  -0.406667   0.256362   0.000101  -0.070204
     3  C    0.027935  -0.020532   0.098073   0.011673   0.002874   0.133653
     4  C   -0.135732   0.008525   0.016260  -0.084733   0.061464  -0.004559
     5  C   -0.088280   0.032429  -0.005949   0.082177  -0.126787  -0.002956
     6  C    0.342302  -0.000896  -0.001017  -0.001705   0.531412   0.000073
     7  O    8.210079   0.000007  -0.000273   0.000199  -0.046869  -0.000005
     8  C    0.000007   5.434159  -0.084604   0.060724  -0.000094  -0.063828
     9  C   -0.000273  -0.084604   5.111746  -0.015470  -0.000011   0.174140
    10  C    0.000199   0.060724  -0.015470   5.030489  -0.000097  -0.112353
    11  C   -0.046869  -0.000094  -0.000011  -0.000097   4.314591   0.000000
    12  H   -0.000005  -0.063828   0.174140  -0.112353   0.000000   1.117737
    13  H   -0.000012   0.082404   0.212311   0.081980  -0.000000  -0.344898
    14  H    0.000928  -0.229505   0.092921  -0.438005   0.000952   0.053694
    15  H    0.000777  -0.005062  -0.020279   0.194435   0.000002   0.070495
    16  H    0.000020   0.000078  -0.002695   0.386169  -0.000006  -0.127405
    17  H    0.000264  -0.002826  -0.028119  -0.018030   0.000005   0.000252
    18  H    0.000193   0.019609  -0.002475   0.010162  -0.000005  -0.002132
    19  H   -0.000562   0.004294   0.007523   0.001526  -0.000026  -0.001182
    20  H    0.000120  -0.017139   0.002723  -0.009949   0.000039  -0.000611
    21  H   -0.000010  -0.032614   0.043847  -0.013696   0.000002  -0.004578
    22  H    0.000030   0.508925  -0.035575   0.026580  -0.000015  -0.004740
    23  H    0.066563  -0.016155   0.001728  -0.059914   0.008866   0.000117
    24  H    0.042071   0.001007   0.001151   0.005675  -0.060176  -0.000201
    25  H   -0.002913  -0.000004  -0.000004  -0.000018   0.269217   0.000000
    26  H    0.008712   0.000001   0.000001   0.000001   0.273819   0.000000
    27  H    0.000412  -0.000027  -0.000006  -0.000001   0.269429   0.000000
              13         14         15         16         17         18
     1  C   -0.101008   0.088975   0.016307  -0.008582   0.254199  -0.008438
     2  C   -0.053473  -0.272939   0.053084   0.011572   0.269178   0.209523
     3  C    0.008915  -0.327563   0.022094   0.031357  -0.067946  -0.009314
     4  C   -0.011203  -0.560628  -0.073526   0.013096   0.004677  -0.003610
     5  C    0.000914  -0.504390  -0.004730   0.012270  -0.006618   0.002146
     6  C   -0.000029   0.041463   0.002591  -0.000418  -0.000097  -0.000048
     7  O   -0.000012   0.000928   0.000777   0.000020   0.000264   0.000193
     8  C    0.082404  -0.229505  -0.005062   0.000078  -0.002826   0.019609
     9  C    0.212311   0.092921  -0.020279  -0.002695  -0.028119  -0.002475
    10  C    0.081980  -0.438005   0.194435   0.386169  -0.018030   0.010162
    11  C   -0.000000   0.000952   0.000002  -0.000006   0.000005  -0.000005
    12  H   -0.344898   0.053694   0.070495  -0.127405   0.000252  -0.002132
    13  H    1.529825  -0.032589  -0.146083   0.087016  -0.025664   0.021839
    14  H   -0.032589   3.295707   0.085777  -0.173573   0.004054  -0.001400
    15  H   -0.146083   0.085777   1.052902  -0.307806   0.011927   0.002034
    16  H    0.087016  -0.173573  -0.307806   1.467586  -0.002048   0.001428
    17  H   -0.025664   0.004054   0.011927  -0.002048   0.693821  -0.052619
    18  H    0.021839  -0.001400   0.002034   0.001428  -0.052619   0.875108
    19  H   -0.000646  -0.004623   0.000398   0.000714  -0.034208  -0.105331
    20  H   -0.000842   0.024664  -0.000326  -0.000028  -0.001965  -0.013858
    21  H   -0.000967   0.008529  -0.000516   0.000270  -0.002598   0.011032
    22  H    0.002828  -0.061166   0.000289   0.001473  -0.001551   0.003847
    23  H   -0.000921   0.222377  -0.024874  -0.006894   0.020563   0.000024
    24  H   -0.000035  -0.105137  -0.000994   0.001384   0.000564   0.000191
    25  H   -0.000000   0.000712   0.000009  -0.000007   0.000000   0.000000
    26  H    0.000000  -0.000093  -0.000001   0.000000   0.000000  -0.000000
    27  H   -0.000000   0.000406   0.000002  -0.000002  -0.000000   0.000000
              19         20         21         22         23         24
     1  C   -0.022794   0.014024   0.022621   0.000381   0.012470   0.000076
     2  C    0.161582   0.208742   0.202501  -0.041325  -0.113101  -0.005106
     3  C    0.006307   0.018189   0.021436  -0.040985   0.013223  -0.112786
     4  C    0.028399   0.003381  -0.000059  -0.001571  -0.184876  -0.153787
     5  C    0.003829  -0.004608  -0.000515   0.006671  -1.001935   0.581488
     6  C    0.001460   0.000503   0.000005  -0.000044   0.099596  -0.358901
     7  O   -0.000562   0.000120  -0.000010   0.000030   0.066563   0.042071
     8  C    0.004294  -0.017139  -0.032614   0.508925  -0.016155   0.001007
     9  C    0.007523   0.002723   0.043847  -0.035575   0.001728   0.001151
    10  C    0.001526  -0.009949  -0.013696   0.026580  -0.059914   0.005675
    11  C   -0.000026   0.000039   0.000002  -0.000015   0.008866  -0.060176
    12  H   -0.001182  -0.000611  -0.004578  -0.004740   0.000117  -0.000201
    13  H   -0.000646  -0.000842  -0.000967   0.002828  -0.000921  -0.000035
    14  H   -0.004623   0.024664   0.008529  -0.061166   0.222377  -0.105137
    15  H    0.000398  -0.000326  -0.000516   0.000289  -0.024874  -0.000994
    16  H    0.000714  -0.000028   0.000270   0.001473  -0.006894   0.001384
    17  H   -0.034208  -0.001965  -0.002598  -0.001551   0.020563   0.000564
    18  H   -0.105331  -0.013858   0.011032   0.003847   0.000024   0.000191
    19  H    0.701013   0.019826  -0.013912  -0.000629  -0.018158  -0.000508
    20  H    0.019826   0.648102   0.014032  -0.079949   0.000732  -0.000686
    21  H   -0.013912   0.014032   0.711812  -0.084791   0.001287   0.000091
    22  H   -0.000629  -0.079949  -0.084791   0.795951  -0.000950   0.001146
    23  H   -0.018158   0.000732   0.001287  -0.000950   1.728411   0.008898
    24  H   -0.000508  -0.000686   0.000091   0.001146   0.008898   1.109887
    25  H   -0.000004   0.000005   0.000000   0.000000   0.002282  -0.022361
    26  H   -0.000005  -0.000001   0.000000   0.000000  -0.001578   0.006213
    27  H    0.000001   0.000009  -0.000000  -0.000002   0.001839  -0.025115
              25         26         27
     1  C    0.000006   0.000003   0.000025
     2  C    0.000033  -0.000021   0.000055
     3  C    0.002292  -0.000511   0.002550
     4  C    0.003461  -0.005298   0.002409
     5  C   -0.026302   0.056195  -0.018510
     6  C    0.088608   0.114445   0.080818
     7  O   -0.002913   0.008712   0.000412
     8  C   -0.000004   0.000001  -0.000027
     9  C   -0.000004   0.000001  -0.000006
    10  C   -0.000018   0.000001  -0.000001
    11  C    0.269217   0.273819   0.269429
    12  H    0.000000   0.000000   0.000000
    13  H   -0.000000   0.000000  -0.000000
    14  H    0.000712  -0.000093   0.000406
    15  H    0.000009  -0.000001   0.000002
    16  H   -0.000007   0.000000  -0.000002
    17  H    0.000000   0.000000  -0.000000
    18  H    0.000000  -0.000000   0.000000
    19  H   -0.000004  -0.000005   0.000001
    20  H    0.000005  -0.000001   0.000009
    21  H    0.000000   0.000000  -0.000000
    22  H    0.000000   0.000000  -0.000002
    23  H    0.002282  -0.001578   0.001839
    24  H   -0.022361   0.006213  -0.025115
    25  H    0.515976   0.002878   0.042249
    26  H    0.002878   0.576385   0.008583
    27  H    0.042249   0.008583   0.505354
 Mulliken charges:
               1
     1  C    1.446951
     2  C   -4.150953
     3  C    0.438266
     4  C    0.018865
     5  C   -0.742065
     6  C   -0.129539
     7  O   -0.424214
     8  C    1.124983
     9  C    0.839435
    10  C    0.653860
    11  C    0.501271
    12  H    0.126810
    13  H   -0.309665
    14  H   -0.209550
    15  H    0.071075
    16  H   -0.384970
    17  H   -0.015219
    18  H    0.042096
    19  H    0.265716
    20  H    0.174870
    21  H    0.116791
    22  H    0.005172
    23  H    0.240382
    24  H    0.085953
    25  H    0.123885
    26  H   -0.039730
    27  H    0.129523
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.739543
     2  C   -4.150953
     3  C    0.228716
     4  C    0.259247
     5  C   -0.656112
     6  C   -0.129539
     7  O   -0.424214
     8  C    1.421816
     9  C    0.656580
    10  C    0.339965
    11  C    0.714949
 Electronic spatial extent (au):  <R**2>=           2525.5288
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.7362    Y=              0.8285    Z=             -2.5934  Tot=              3.2290
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -69.4757   YY=            -69.1529   ZZ=            -70.6432
   XY=              3.5520   XZ=             -8.9905   YZ=              0.5539
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2816   YY=              0.6044   ZZ=             -0.8859
   XY=              3.5520   XZ=             -8.9905   YZ=              0.5539
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             11.7504  YYY=             -0.7199  ZZZ=             -5.2414  XYY=              3.5674
  XXY=             11.9802  XXZ=            -26.0311  XZZ=             -8.4091  YZZ=              0.0105
  YYZ=              2.0225  XYZ=              2.6644
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2535.2532 YYYY=           -461.4125 ZZZZ=           -393.6820 XXXY=             25.0468
 XXXZ=            -83.7191 YYYX=              4.8329 YYYZ=             -1.0823 ZZZX=             -5.7256
 ZZZY=             -0.7421 XXYY=           -508.6950 XXZZ=           -522.5369 YYZZ=           -140.0332
 XXYZ=             13.7946 YYXZ=             -1.6837 ZZXY=              6.3534
 N-N= 6.070550387255D+02 E-N=-2.292130037179D+03  KE= 4.599806567128D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:38:30 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.91470027D-01 3.08381737D-01-9.74521973D-01
 Polarizability= 1.61954153D+02 5.39450538D+00 1.04291144D+02
                -2.77385528D+00-3.01374036D+00 1.09144327D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2967    1.3006        2.8663    2.8631
 2     -1.2967   -1.3006        1.4517    1.4499      -30.9906  -30.9904
 3     -2.8663   -2.8631       28.7986   28.7957       -1.4499   -1.4499
 4     -1.4517   -1.4499        0.0000    0.0000       -2.8645   -2.8631
 5      2.1920    2.1946        2.8645    2.8631        1.2982    1.3006
 6      1.4499    1.4499       -1.2982   -1.3006        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.9019   -3.9019        8.5893    8.5893
 2     -4.3497   -4.3497       -0.0000    0.0000        8.5893    8.5893
 3     -4.3497   -4.3497       -3.9019   -3.9019        0.0000    0.0000
 4     -3.9019   -3.9019        4.3497    4.3497      -92.9712  -92.9712
 5     -8.5893   -8.5893       86.3872   86.3872       -4.3497   -4.3497
 6      6.5839    6.5839        8.5893    8.5893        3.9019    3.9019
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0881    0.0000       -6.1353   -5.2026      -11.0773  -11.4524
 2      5.5798    5.2026       -5.8717   -5.7996      123.9017  123.9616
 3     11.5420   11.4524     -115.2364 -115.1830        6.0091    5.7996
 4      6.0539    5.7996       -0.0477    0.0000       11.2482   11.4524
 5     -8.7289   -8.7786      -11.3973  -11.4524       -5.0609   -5.2026
 6     -5.7676   -5.7996        5.2489    5.2026       -0.1225    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0464    0.0000      -31.9035  -31.7890      -26.1112  -25.8985
 2     31.7686   31.7890       33.4418   33.4769       13.5097   12.5095
 3     26.3749   25.8985       40.0872   39.7418      -34.1389  -33.4769
 4    -33.3377  -33.4769       -0.1095    0.0000       26.0119   25.8985
 5    -51.5520  -52.2513      -26.0006  -25.8985      -32.3272  -31.7890
 6     32.9879   33.4769       32.0380   31.7890        0.0230    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -54.4499  -54.1026      -22.8323  -23.3564        2.3609    2.5528
 2    -82.7704  -83.1422      -52.1617  -52.0985        2.5362    2.5528
 3    -82.8802  -83.1422      -23.3360  -23.3564       -4.5027   -4.5087
 4     28.6138   28.7421       29.1735   29.0396       37.3953   37.1030
 5     -7.2335   -7.0615       34.1207   33.7773      -29.2196  -29.0396
 6    -70.1173  -70.8803        7.9105    7.0615      -29.8784  -28.7421
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9635   -2.8729   -0.0008   -0.0004    0.0002    4.5301
 Low frequencies ---   32.1270   63.4798   78.6601
 Diagonal vibrational polarizability:
       20.2521150      75.1209858      11.1512478
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     32.1132                63.4792                78.6590
 Red. masses --      3.3272                 3.9353                 3.1815
 Frc consts  --      0.0020                 0.0093                 0.0116
 IR Inten    --      2.7823                 1.5390                 0.9613
 RamAct Fr= 1--      1.8118                 1.0416                 0.2805
  Dep-P Fr= 1--      0.7265                 0.7233                 0.4883
  Dep-U Fr= 1--      0.8416                 0.8394                 0.6562
 Alpha2 Fr= 1--      0.0007                 0.0005                 0.0015
 Beta2  Fr= 1--      0.2541                 0.1457                 0.0307
 AlphaG Fr= 1--     -0.0025                 0.0050                 0.0092
 Gamma2 Fr= 1--     -0.1376                 0.1077                 0.3710
 Delta2 Fr= 1--     -0.0495                -0.0435                 0.0924
 Raman1 Fr= 1--       7.247                  4.167                  1.122
 ROA1   Fr= 1--     -14.789                  8.949                 38.570
 CID1   Fr= 1--      -2.041                  2.148                 34.372
 Raman2 Fr= 1--       3.050                  1.749                  0.368
 ROA2   Fr= 1--      -2.906                  2.933                  8.164
 CID2   Fr= 1--      -0.953                  1.677                 22.175
 Raman3 Fr= 1--       6.099                  3.497                  0.736
 ROA3   Fr= 1--     -14.789                  8.949                 38.570
 CID3   Fr= 1--      -2.425                  2.559                 52.383
 RC180  Fr= 1--       0.683                  0.679                  0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07  -0.03     0.06  -0.12   0.02     0.23   0.04  -0.01
     2   6     0.04   0.01  -0.02     0.07  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.09  -0.01    -0.01  -0.12  -0.01    -0.02   0.01  -0.11
     4   6    -0.01  -0.11  -0.02    -0.01  -0.15  -0.02    -0.01  -0.02  -0.14
     5   6    -0.03  -0.01   0.01    -0.04  -0.04  -0.00     0.00   0.05  -0.07
     6   6    -0.03   0.00   0.01    -0.04   0.08   0.01    -0.05   0.02   0.03
     7   8     0.01  -0.17  -0.06    -0.05   0.25   0.06    -0.16   0.05   0.05
     8   6     0.11  -0.01  -0.08     0.24   0.05   0.07    -0.08  -0.03   0.01
     9   6    -0.03   0.04   0.06    -0.04   0.09  -0.06     0.01  -0.03   0.15
    10   6    -0.08  -0.03   0.07    -0.13  -0.04  -0.02    -0.01  -0.00  -0.08
    11   6    -0.08   0.27   0.09    -0.05  -0.01  -0.05     0.04  -0.06   0.12
    12   1    -0.04   0.03   0.06     0.03   0.16  -0.09    -0.17  -0.02   0.26
    13   1    -0.02   0.12   0.09    -0.12   0.15  -0.11     0.16  -0.06   0.28
    14   1    -0.02  -0.14  -0.02    -0.01  -0.12  -0.01    -0.06   0.05  -0.10
    15   1    -0.09  -0.01   0.09    -0.21  -0.04  -0.00     0.12  -0.07  -0.15
    16   1    -0.14  -0.07   0.10    -0.17  -0.05  -0.01    -0.12   0.06  -0.13
    17   1     0.04   0.09   0.01    -0.05  -0.17  -0.03     0.29   0.05  -0.01
    18   1     0.12   0.15  -0.03     0.09  -0.06   0.02     0.28   0.05   0.09
    19   1     0.13   0.04  -0.09     0.12  -0.22   0.07     0.25   0.05  -0.14
    20   1     0.16  -0.05  -0.14     0.33  -0.07   0.11    -0.07  -0.01  -0.11
    21   1     0.15   0.07  -0.08     0.30   0.15   0.09    -0.03  -0.04   0.12
    22   1     0.07  -0.06  -0.07     0.23   0.12   0.07    -0.22  -0.07   0.04
    23   1     0.01  -0.20  -0.05     0.00  -0.17  -0.03    -0.01  -0.09  -0.16
    24   1    -0.05   0.08   0.04    -0.06  -0.03   0.00     0.06   0.11  -0.05
    25   1    -0.01   0.44  -0.02    -0.01  -0.16   0.05     0.10  -0.11   0.15
    26   1    -0.07   0.26   0.08    -0.06   0.12  -0.03    -0.02  -0.07   0.20
    27   1    -0.19   0.31   0.27    -0.08  -0.07  -0.23     0.11  -0.07   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.5158               134.1099               156.7667
 Red. masses --      1.1395                 2.3320                 2.9904
 Frc consts  --      0.0090                 0.0247                 0.0433
 IR Inten    --      0.0020                 0.1368                 1.6991
 RamAct Fr= 1--      0.6354                 0.9830                 0.6061
  Dep-P Fr= 1--      0.7288                 0.7409                 0.6029
  Dep-U Fr= 1--      0.8431                 0.8512                 0.7522
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0016
 Beta2  Fr= 1--      0.0893                 0.1394                 0.0760
 AlphaG Fr= 1--     -0.0012                -0.0000                -0.0048
 Gamma2 Fr= 1--     -0.1011                 0.4818                -0.4302
 Delta2 Fr= 1--      0.0119                 0.0247                -0.1010
 Raman1 Fr= 1--       2.542                  3.932                  2.425
 ROA1   Fr= 1--      -9.321                 47.040                -44.533
 CID1   Fr= 1--      -3.667                 11.964                -18.367
 Raman2 Fr= 1--       1.071                  1.673                  0.912
 ROA2   Fr= 1--      -2.521                 11.365                 -9.517
 CID2   Fr= 1--      -2.353                  6.792                -10.437
 Raman3 Fr= 1--       2.143                  3.347                  1.824
 ROA3   Fr= 1--      -9.321                 47.040                -44.533
 CID3   Fr= 1--      -4.350                 14.056                -24.417
 RC180  Fr= 1--       0.686                  0.702                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01     0.01   0.03  -0.01    -0.04  -0.08  -0.00
     2   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.00  -0.01  -0.02
     3   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.03   0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.05   0.04     0.03   0.09  -0.09
     5   6     0.02  -0.07  -0.03    -0.06   0.24   0.14    -0.01   0.17  -0.09
     6   6     0.00  -0.01  -0.01    -0.01   0.06   0.04    -0.03   0.04  -0.05
     7   8    -0.00  -0.03  -0.01     0.06  -0.07  -0.01    -0.14  -0.06  -0.07
     8   6    -0.02   0.01   0.02     0.02  -0.03  -0.05     0.07   0.03   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.01  -0.01  -0.05
    10   6     0.01   0.01   0.00    -0.01  -0.01  -0.05     0.04  -0.04   0.22
    11   6    -0.00   0.05   0.02    -0.02  -0.07  -0.06     0.08  -0.05   0.07
    12   1     0.00   0.00  -0.00    -0.05  -0.00   0.04     0.19  -0.08  -0.16
    13   1     0.00   0.00  -0.00     0.03  -0.03   0.04    -0.13   0.08  -0.15
    14   1    -0.00   0.01  -0.00     0.04   0.01   0.02    -0.12  -0.15  -0.03
    15   1     0.01   0.01   0.00    -0.01  -0.06  -0.08     0.00   0.19   0.37
    16   1     0.01   0.01   0.00    -0.04   0.03  -0.08     0.11  -0.24   0.38
    17   1     0.00  -0.00   0.00    -0.01   0.04   0.01    -0.07  -0.10  -0.03
    18   1    -0.01  -0.01   0.01     0.03   0.06  -0.02    -0.05  -0.09  -0.01
    19   1    -0.02   0.01   0.01     0.03   0.01  -0.04    -0.04  -0.09   0.05
    20   1    -0.03   0.02   0.03     0.03  -0.04  -0.09     0.10  -0.02   0.07
    21   1    -0.02  -0.01   0.02     0.03   0.00  -0.06     0.08   0.06   0.03
    22   1    -0.01   0.02   0.01     0.00  -0.07  -0.04     0.08   0.08   0.02
    23   1    -0.01   0.09   0.02     0.02  -0.33  -0.07     0.11   0.05  -0.11
    24   1     0.03  -0.13  -0.06    -0.12   0.51   0.24     0.01   0.22  -0.07
    25   1     0.35  -0.32   0.31     0.03  -0.37   0.14     0.15  -0.10   0.12
    26   1    -0.09   0.54   0.21    -0.03   0.14  -0.03     0.01  -0.08   0.18
    27   1    -0.24  -0.15  -0.46    -0.06  -0.19  -0.41     0.19  -0.06   0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.1455               245.4155               262.9542
 Red. masses --      1.3354                 1.8317                 2.7569
 Frc consts  --      0.0385                 0.0650                 0.1123
 IR Inten    --      0.1455                 0.7524                 0.1632
 RamAct Fr= 1--      0.4643                 0.5927                 4.3432
  Dep-P Fr= 1--      0.5577                 0.7393                 0.1754
  Dep-U Fr= 1--      0.7161                 0.8501                 0.2984
 Alpha2 Fr= 1--      0.0017                 0.0001                 0.0629
 Beta2  Fr= 1--      0.0554                 0.0840                 0.2160
 AlphaG Fr= 1--     -0.0103                 0.0019                -0.0552
 Gamma2 Fr= 1--     -0.4861                 0.4305                -0.0201
 Delta2 Fr= 1--     -0.0439                 0.3457                -0.0740
 Raman1 Fr= 1--       1.857                  2.371                 17.373
 ROA1   Fr= 1--     -48.065                 52.393                 -4.294
 CID1   Fr= 1--     -25.883                 22.099                 -0.247
 Raman2 Fr= 1--       0.665                  1.008                  2.592
 ROA2   Fr= 1--     -11.314                  7.567                  0.110
 CID2   Fr= 1--     -17.017                  7.508                  0.043
 Raman3 Fr= 1--       1.330                  2.016                  5.184
 ROA3   Fr= 1--     -48.065                 52.393                 -4.294
 CID3   Fr= 1--     -36.145                 25.995                 -0.828
 RC180  Fr= 1--       0.432                  0.700                 -0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01  -0.03    -0.11   0.07   0.08    -0.12   0.02   0.02
     2   6     0.01   0.02  -0.03     0.02  -0.01   0.07    -0.04   0.01   0.01
     3   6     0.00  -0.03  -0.02     0.01  -0.00   0.05    -0.03  -0.05  -0.01
     4   6     0.01  -0.05  -0.02     0.03  -0.03  -0.01     0.05  -0.13  -0.10
     5   6     0.01  -0.00   0.02    -0.00   0.01  -0.06     0.07  -0.00  -0.03
     6   6     0.02   0.00   0.01    -0.01   0.01  -0.05     0.10   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.01  -0.04     0.11   0.05  -0.01
     8   6    -0.10   0.02   0.03     0.09  -0.05  -0.03    -0.09  -0.00   0.01
     9   6    -0.01   0.04  -0.03     0.01  -0.01   0.06    -0.08   0.06   0.02
    10   6    -0.03   0.00   0.05     0.00  -0.00  -0.08    -0.13   0.01   0.02
    11   6     0.01   0.00  -0.00     0.05   0.00   0.03     0.18   0.01   0.06
    12   1     0.06   0.04  -0.07    -0.09   0.03   0.13    -0.09   0.08   0.03
    13   1    -0.07   0.09  -0.07     0.10  -0.07   0.12    -0.08   0.09   0.03
    14   1     0.00  -0.06  -0.03    -0.00   0.08   0.07    -0.08  -0.04  -0.01
    15   1    -0.06   0.07   0.10     0.01  -0.14  -0.17    -0.16   0.01   0.02
    16   1    -0.03  -0.07   0.10    -0.03   0.12  -0.18    -0.18  -0.01   0.03
    17   1    -0.05  -0.03  -0.03    -0.24   0.08   0.16     0.08   0.05   0.01
    18   1     0.14   0.12   0.00    -0.14   0.16  -0.06    -0.24  -0.21  -0.01
    19   1     0.16  -0.12  -0.06    -0.10   0.03   0.13    -0.29   0.21   0.08
    20   1    -0.38   0.26   0.41    -0.06   0.06   0.28    -0.03  -0.03  -0.20
    21   1    -0.39  -0.32  -0.24    -0.13  -0.16  -0.38     0.01   0.05   0.17
    22   1     0.31   0.11  -0.04     0.52  -0.07  -0.08    -0.33  -0.05   0.04
    23   1     0.01  -0.11  -0.04     0.09  -0.06  -0.03     0.09  -0.29  -0.16
    24   1     0.01   0.05   0.04    -0.04   0.04  -0.05     0.07   0.15   0.03
    25   1    -0.00  -0.00  -0.00     0.10   0.01   0.03     0.26   0.03   0.06
    26   1     0.01   0.00  -0.01     0.00  -0.03   0.09     0.11  -0.03   0.16
    27   1     0.00  -0.00  -0.00     0.09   0.01   0.03     0.24   0.03   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    286.5650               319.1396               344.6984
 Red. masses --      1.1104                 2.3261                 2.5115
 Frc consts  --      0.0537                 0.1396                 0.1758
 IR Inten    --      0.0607                 1.0713                 2.2778
 RamAct Fr= 1--      0.7543                 1.9959                 0.2680
  Dep-P Fr= 1--      0.1754                 0.5118                 0.3007
  Dep-U Fr= 1--      0.2985                 0.6771                 0.4623
 Alpha2 Fr= 1--      0.0109                 0.0093                 0.0027
 Beta2  Fr= 1--      0.0375                 0.2252                 0.0207
 AlphaG Fr= 1--     -0.0082                 0.0472                -0.0110
 Gamma2 Fr= 1--      0.0157                 0.0676                -0.4505
 Delta2 Fr= 1--      0.0166                -0.0325                -0.1681
 Raman1 Fr= 1--       3.017                  7.983                  1.072
 ROA1   Fr= 1--       2.039                  5.450                -48.628
 CID1   Fr= 1--       0.676                  0.683                -45.357
 Raman2 Fr= 1--       0.450                  2.703                  0.248
 ROA2   Fr= 1--       0.244                  1.883                 -9.467
 CID2   Fr= 1--       0.542                  0.697                -38.199
 Raman3 Fr= 1--       0.901                  5.405                  0.496
 ROA3   Fr= 1--       2.039                  5.450                -48.628
 CID3   Fr= 1--       2.264                  1.008                -98.106
 RC180  Fr= 1--      -0.403                  0.354                 -0.075
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.03  -0.14  -0.04     0.12  -0.02   0.05
     2   6     0.03   0.01  -0.00    -0.04  -0.01  -0.04     0.00  -0.02   0.06
     3   6     0.02  -0.01   0.00    -0.06   0.01  -0.04     0.01  -0.02   0.13
     4   6     0.01  -0.03   0.00    -0.06   0.16   0.01     0.01   0.05   0.15
     5   6    -0.01  -0.00   0.00     0.01   0.03   0.02    -0.04   0.01  -0.00
     6   6    -0.03  -0.00   0.00     0.04   0.02   0.03    -0.01   0.04  -0.07
     7   8    -0.03  -0.01   0.01     0.09  -0.02   0.01    -0.05   0.00  -0.08
     8   6     0.01   0.01   0.01     0.07  -0.00  -0.07    -0.05  -0.10  -0.07
     9   6     0.03   0.01  -0.01    -0.09   0.00   0.11    -0.03   0.07  -0.11
    10   6     0.02   0.00   0.01    -0.09  -0.00   0.01    -0.08  -0.00  -0.05
    11   6    -0.04  -0.00  -0.02     0.05  -0.00   0.02     0.09   0.00   0.04
    12   1     0.04   0.02  -0.02    -0.26  -0.07   0.20     0.13   0.22  -0.17
    13   1     0.02   0.02  -0.02     0.06   0.04   0.27    -0.18   0.06  -0.26
    14   1     0.03  -0.01   0.00    -0.06  -0.05  -0.06     0.08  -0.01   0.14
    15   1     0.01   0.01   0.01    -0.04  -0.06  -0.04    -0.24  -0.11  -0.07
    16   1     0.02  -0.01   0.01    -0.17   0.04  -0.03    -0.03   0.09  -0.12
    17   1     0.54   0.10  -0.06     0.16  -0.19  -0.19     0.27  -0.02  -0.00
    18   1    -0.20  -0.50   0.06    -0.01  -0.32   0.06     0.17  -0.08   0.20
    19   1    -0.34   0.45  -0.01    -0.05  -0.08   0.02     0.12   0.02  -0.07
    20   1    -0.05   0.07   0.12     0.04  -0.00   0.13    -0.08  -0.03  -0.22
    21   1    -0.06  -0.07  -0.08    -0.03  -0.00  -0.30    -0.06  -0.09  -0.09
    22   1     0.14   0.04  -0.01     0.35   0.00  -0.11    -0.10  -0.27  -0.04
    23   1     0.01  -0.05  -0.01    -0.12   0.35   0.08     0.09   0.18   0.18
    24   1    -0.02   0.02   0.01     0.09  -0.14  -0.04    -0.14  -0.11  -0.04
    25   1    -0.07  -0.01  -0.02     0.05  -0.02   0.03     0.18   0.00   0.05
    26   1    -0.03   0.01  -0.04     0.04  -0.03   0.03     0.00  -0.07   0.16
    27   1    -0.07  -0.01  -0.02     0.09   0.00   0.00     0.20   0.02   0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    365.5603               412.3104               441.7611
 Red. masses --      2.3287                 2.6408                 2.2692
 Frc consts  --      0.1833                 0.2645                 0.2609
 IR Inten    --      0.1812                 1.8293                 0.4321
 RamAct Fr= 1--      1.4935                 2.2307                 0.3232
  Dep-P Fr= 1--      0.3781                 0.2488                 0.7381
  Dep-U Fr= 1--      0.5487                 0.3985                 0.8493
 Alpha2 Fr= 1--      0.0119                 0.0265                 0.0001
 Beta2  Fr= 1--      0.1366                 0.1481                 0.0457
 AlphaG Fr= 1--      0.0310                -0.0201                -0.0049
 Gamma2 Fr= 1--      0.1553                 0.3625                 0.2936
 Delta2 Fr= 1--      0.1462                 0.0963                 0.1999
 Raman1 Fr= 1--       5.974                  8.923                  1.293
 ROA1   Fr= 1--      19.589                 37.884                 34.582
 CID1   Fr= 1--       3.279                  4.246                 26.751
 Raman2 Fr= 1--       1.639                  1.778                  0.549
 ROA2   Fr= 1--       2.558                  7.931                  5.448
 CID2   Fr= 1--       1.561                  4.461                  9.924
 Raman3 Fr= 1--       3.278                  3.555                  1.098
 ROA3   Fr= 1--      19.589                 37.884                 34.582
 CID3   Fr= 1--       5.976                 10.656                 31.498
 RC180  Fr= 1--       0.097                 -0.203                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.16  -0.07    -0.04  -0.05  -0.13    -0.05   0.02  -0.00
     2   6    -0.06  -0.07  -0.03     0.05   0.05  -0.13     0.14  -0.02  -0.02
     3   6    -0.05  -0.07  -0.01     0.07  -0.04   0.04     0.07  -0.12  -0.03
     4   6    -0.05   0.06   0.03     0.02  -0.08   0.17     0.06   0.10  -0.01
     5   6    -0.02   0.01   0.01    -0.07  -0.03   0.05     0.06   0.06  -0.03
     6   6     0.01   0.03  -0.01    -0.03   0.03  -0.08     0.01   0.06   0.06
     7   8     0.05  -0.00  -0.03    -0.06   0.02  -0.08    -0.04  -0.06   0.03
     8   6     0.05   0.04   0.15    -0.05   0.13   0.02    -0.04  -0.04   0.05
     9   6    -0.05  -0.10  -0.06     0.04   0.00   0.09     0.04   0.10   0.02
    10   6    -0.03  -0.10  -0.04     0.03  -0.01   0.01    -0.09  -0.07  -0.03
    11   6     0.06  -0.00   0.03     0.06   0.00   0.02    -0.05  -0.00  -0.04
    12   1    -0.02  -0.09  -0.07    -0.18  -0.16   0.18     0.02   0.16   0.04
    13   1    -0.07  -0.13  -0.09     0.23   0.09   0.29     0.03   0.20   0.05
    14   1    -0.04  -0.08  -0.02     0.24  -0.13   0.03     0.05  -0.19  -0.05
    15   1    -0.06  -0.12  -0.05     0.04  -0.15  -0.08    -0.16  -0.18  -0.08
    16   1    -0.01  -0.07  -0.07    -0.03   0.09  -0.08    -0.22   0.01  -0.09
    17   1     0.15   0.30   0.15    -0.12  -0.12  -0.22    -0.18   0.04   0.09
    18   1     0.05   0.22  -0.08    -0.07  -0.08  -0.17    -0.15   0.05  -0.23
    19   1    -0.00   0.28  -0.31    -0.03  -0.11   0.02    -0.10   0.04   0.15
    20   1     0.10  -0.08   0.38    -0.07   0.15   0.05    -0.13   0.09  -0.05
    21   1     0.07   0.03   0.21    -0.02   0.02   0.20    -0.05  -0.22   0.22
    22   1     0.11   0.30   0.12    -0.17   0.30   0.02    -0.21  -0.02   0.07
    23   1    -0.07   0.18   0.07     0.04  -0.08   0.16     0.06   0.37   0.08
    24   1    -0.01  -0.10  -0.03    -0.24  -0.04   0.04     0.16  -0.18  -0.11
    25   1     0.10  -0.01   0.04     0.16   0.01   0.03    -0.23  -0.07  -0.02
    26   1     0.01  -0.06   0.09    -0.03  -0.06   0.16     0.05  -0.00  -0.19
    27   1     0.14   0.01   0.02     0.17   0.02   0.03    -0.06  -0.02  -0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    514.1255               585.6902               594.9856
 Red. masses --      2.8326                 2.5264                 2.9181
 Frc consts  --      0.4411                 0.5106                 0.6086
 IR Inten    --     13.2130                 1.8589                 7.3963
 RamAct Fr= 1--      1.1934                 1.7100                 4.3056
  Dep-P Fr= 1--      0.2577                 0.0428                 0.7187
  Dep-U Fr= 1--      0.4097                 0.0821                 0.8363
 Alpha2 Fr= 1--      0.0138                 0.0344                 0.0023
 Beta2  Fr= 1--      0.0815                 0.0234                 0.6001
 AlphaG Fr= 1--     -0.0175                -0.1432                -0.0172
 Gamma2 Fr= 1--     -0.6516                 0.1295                -0.7109
 Delta2 Fr= 1--     -0.2239                -0.2083                 0.1732
 Raman1 Fr= 1--       4.774                  6.840                 17.222
 ROA1   Fr= 1--     -69.720                  5.761                -62.704
 CID1   Fr= 1--     -14.605                  0.842                 -3.641
 Raman2 Fr= 1--       0.978                  0.281                  7.202
 ROA2   Fr= 1--     -13.848                  4.773                -18.447
 CID2   Fr= 1--     -14.159                 17.011                 -2.562
 Raman3 Fr= 1--       1.956                  0.561                 14.403
 ROA3   Fr= 1--     -69.720                  5.761                -62.704
 CID3   Fr= 1--     -35.644                 10.265                 -4.354
 RC180  Fr= 1--      -0.181                 -0.836                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.07     0.01   0.00   0.06    -0.01  -0.01  -0.06
     2   6    -0.13   0.00  -0.03    -0.06   0.06   0.03    -0.01  -0.08  -0.01
     3   6     0.02   0.00   0.16    -0.02  -0.02   0.03     0.04   0.08  -0.10
     4   6     0.16   0.01   0.01     0.02  -0.09  -0.04    -0.00  -0.05   0.06
     5   6     0.13   0.04  -0.06     0.02  -0.08  -0.04     0.03  -0.07   0.09
     6   6     0.09  -0.06   0.03    -0.04   0.25   0.10     0.05   0.11   0.03
     7   8    -0.12  -0.02   0.07     0.02  -0.08  -0.02    -0.13  -0.05  -0.01
     8   6    -0.01   0.06  -0.01    -0.03   0.11  -0.05     0.03  -0.15   0.06
     9   6    -0.11  -0.06  -0.01     0.01  -0.05  -0.01    -0.09   0.02   0.00
    10   6    -0.05  -0.01   0.00     0.03  -0.02  -0.01    -0.01   0.15   0.00
    11   6     0.00   0.03  -0.08    -0.01   0.02   0.01     0.11   0.06  -0.09
    12   1    -0.20  -0.13   0.03     0.03  -0.08  -0.03    -0.19   0.07   0.07
    13   1    -0.02  -0.08   0.06    -0.01  -0.10  -0.05     0.02  -0.03   0.09
    14   1     0.04  -0.03   0.15    -0.04  -0.02   0.03     0.12   0.18  -0.06
    15   1    -0.17  -0.19  -0.08     0.03  -0.08  -0.04     0.04   0.47   0.18
    16   1     0.03   0.15  -0.12     0.06   0.03  -0.05     0.03  -0.14   0.24
    17   1     0.12  -0.03  -0.14     0.04  -0.05  -0.05    -0.00   0.06   0.07
    18   1     0.12   0.00   0.14     0.06  -0.02   0.19    -0.03   0.04  -0.14
    19   1     0.09  -0.04  -0.24     0.05  -0.04   0.04    -0.03   0.05  -0.14
    20   1     0.06  -0.05   0.08     0.01   0.07  -0.06     0.06  -0.19   0.11
    21   1     0.02   0.15  -0.03    -0.02   0.18  -0.12     0.04  -0.14   0.07
    22   1     0.04   0.14  -0.03     0.02   0.06  -0.05     0.05  -0.10   0.06
    23   1     0.37  -0.09  -0.04     0.03   0.07   0.02    -0.15  -0.04   0.08
    24   1     0.15   0.17  -0.01     0.06  -0.24  -0.10    -0.05  -0.12   0.07
    25   1    -0.12   0.06  -0.12    -0.40  -0.30   0.17    -0.09  -0.07  -0.03
    26   1     0.15   0.20  -0.29     0.06  -0.28  -0.11     0.20  -0.01  -0.22
    27   1    -0.26  -0.00  -0.05     0.42  -0.01  -0.27     0.21   0.04  -0.20
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.6607               729.6673               800.7121
 Red. masses --      3.4855                 1.9784                 1.8776
 Frc consts  --      0.8168                 0.6206                 0.7092
 IR Inten    --      6.9052                 0.8473                 1.3251
 RamAct Fr= 1--     10.2614                 7.0939                17.3108
  Dep-P Fr= 1--      0.0427                 0.0199                 0.4059
  Dep-U Fr= 1--      0.0819                 0.0390                 0.5774
 Alpha2 Fr= 1--      0.2063                 0.1505                 0.1255
 Beta2  Fr= 1--      0.1400                 0.0462                 1.6659
 AlphaG Fr= 1--      0.1665                 0.0815                -0.0270
 Gamma2 Fr= 1--      0.9349                -0.2625                -0.5782
 Delta2 Fr= 1--     -0.3270                 0.3638                 0.4182
 Raman1 Fr= 1--      41.046                 28.376                 69.243
 ROA1   Fr= 1--      79.284                -13.560                -42.125
 CID1   Fr= 1--       1.932                 -0.478                 -0.608
 Raman2 Fr= 1--       1.680                  0.554                 19.991
 ROA2   Fr= 1--      25.052                 -9.211                -17.222
 CID2   Fr= 1--      14.912                -16.626                 -0.861
 Raman3 Fr= 1--       3.360                  1.108                 39.983
 ROA3   Fr= 1--      79.284                -13.560                -42.125
 CID3   Fr= 1--      23.597                -12.238                 -1.054
 RC180  Fr= 1--      -0.836                 -0.922                  0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.13     0.02   0.01   0.13     0.02   0.00  -0.00
     2   6     0.01   0.07   0.03    -0.00   0.01   0.00     0.12   0.01  -0.02
     3   6    -0.07  -0.06  -0.10     0.09  -0.09  -0.08    -0.10   0.01   0.13
     4   6    -0.11   0.01   0.01     0.07  -0.01   0.04    -0.07   0.02  -0.04
     5   6    -0.00  -0.00   0.14     0.02   0.06   0.02    -0.06  -0.03  -0.05
     6   6     0.11  -0.05   0.00    -0.01  -0.02  -0.03     0.00  -0.01   0.04
     7   8    -0.15  -0.02   0.04     0.01   0.01  -0.02     0.01  -0.01   0.04
     8   6    -0.02   0.13  -0.06    -0.02   0.09  -0.04     0.04   0.01  -0.01
     9   6     0.08  -0.04   0.01    -0.08  -0.07  -0.06    -0.03  -0.01  -0.09
    10   6    -0.00  -0.13  -0.01    -0.03   0.03  -0.06     0.04  -0.01  -0.03
    11   6     0.19   0.07  -0.14    -0.05  -0.03   0.03     0.06   0.03  -0.03
    12   1     0.24  -0.03  -0.09    -0.37  -0.02   0.12    -0.41   0.01   0.14
    13   1    -0.08  -0.02  -0.13     0.19  -0.27   0.12     0.32  -0.10   0.21
    14   1    -0.12  -0.09  -0.11     0.18  -0.04  -0.07    -0.21  -0.03   0.11
    15   1     0.10  -0.17  -0.06    -0.15   0.38   0.19    -0.25   0.10   0.12
    16   1    -0.12  -0.10  -0.05     0.09  -0.35   0.24     0.42  -0.09   0.04
    17   1    -0.01  -0.03   0.05     0.02   0.02   0.14    -0.02  -0.00   0.01
    18   1    -0.00  -0.03   0.14     0.02   0.01   0.14    -0.03  -0.02  -0.10
    19   1     0.01  -0.01   0.24     0.01   0.01   0.15    -0.01   0.01   0.11
    20   1    -0.04   0.15  -0.11    -0.03   0.11  -0.06    -0.13   0.22  -0.10
    21   1    -0.04   0.16  -0.13    -0.03   0.09  -0.06    -0.03  -0.25   0.12
    22   1     0.01   0.04  -0.06    -0.02   0.07  -0.04    -0.12  -0.02   0.02
    23   1    -0.32   0.02   0.03     0.06   0.16   0.10    -0.00  -0.07  -0.07
    24   1    -0.03  -0.06   0.11     0.03  -0.15  -0.05    -0.05   0.13   0.00
    25   1     0.21   0.15  -0.19     0.05   0.04  -0.01    -0.01  -0.01  -0.01
    26   1     0.27   0.23  -0.25    -0.09   0.02   0.08     0.11   0.03  -0.10
    27   1    -0.03   0.06  -0.06    -0.12  -0.02   0.09     0.07   0.02  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    853.6635               880.8793               904.7358
 Red. masses --      2.1341                 1.9150                 1.9728
 Frc consts  --      0.9163                 0.8755                 0.9515
 IR Inten    --      0.7985                 0.7217                 7.4362
 RamAct Fr= 1--      1.6801                 6.3714                18.6113
  Dep-P Fr= 1--      0.5991                 0.7321                 0.4570
  Dep-U Fr= 1--      0.7493                 0.8453                 0.6273
 Alpha2 Fr= 1--      0.0047                 0.0020                 0.1109
 Beta2  Fr= 1--      0.2098                 0.8976                 1.9459
 AlphaG Fr= 1--      0.0813                -0.0107                 0.0515
 Gamma2 Fr= 1--      0.8976                -0.9456                -2.0600
 Delta2 Fr= 1--     -0.7982                 1.0468                -1.0650
 Raman1 Fr= 1--       6.720                 25.485                 74.445
 ROA1   Fr= 1--      60.623                -57.282               -231.842
 CID1   Fr= 1--       9.021                 -2.248                 -3.114
 Raman2 Fr= 1--       2.518                 10.771                 23.351
 ROA2   Fr= 1--      27.927                -31.069                -40.920
 CID2   Fr= 1--      11.093                 -2.884                 -1.752
 Raman3 Fr= 1--       5.035                 21.543                 46.702
 ROA3   Fr= 1--      60.623                -57.282               -231.842
 CID3   Fr= 1--      12.040                 -2.659                 -4.964
 RC180  Fr= 1--       0.499                  0.691                  0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.05    -0.05  -0.00  -0.03    -0.01  -0.00   0.08
     2   6     0.08  -0.03  -0.03    -0.10  -0.00   0.03    -0.04  -0.00  -0.05
     3   6     0.01   0.11  -0.03    -0.00  -0.01  -0.00     0.01  -0.04  -0.01
     4   6     0.03   0.12   0.06    -0.00   0.06   0.02    -0.01   0.03  -0.06
     5   6     0.08  -0.14  -0.00     0.02  -0.06  -0.01     0.12  -0.04   0.14
     6   6     0.01   0.02  -0.03     0.00  -0.00  -0.00    -0.01   0.01  -0.04
     7   8    -0.01   0.01  -0.04    -0.00   0.00  -0.00    -0.03   0.02  -0.06
     8   6     0.02   0.03  -0.03    -0.05  -0.02   0.02     0.00  -0.04   0.00
     9   6    -0.05  -0.08   0.00     0.16   0.12  -0.01    -0.05   0.08  -0.06
    10   6    -0.09  -0.08   0.01    -0.01  -0.12  -0.07     0.09   0.01   0.06
    11   6    -0.05   0.02   0.03    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    12   1     0.06  -0.10  -0.07    -0.12   0.26   0.18    -0.26  -0.13   0.02
    13   1    -0.15  -0.02  -0.07     0.35   0.12   0.17     0.13   0.24   0.17
    14   1     0.07   0.11  -0.03    -0.02   0.08   0.02    -0.14  -0.31  -0.10
    15   1     0.01  -0.03   0.01    -0.18   0.16   0.16    -0.08  -0.28  -0.08
    16   1    -0.21  -0.12   0.04    -0.00  -0.40   0.16     0.27   0.30  -0.17
    17   1    -0.05   0.03   0.13     0.07  -0.01  -0.09     0.07   0.04   0.12
    18   1    -0.06  -0.01  -0.14     0.08   0.03   0.20     0.06   0.05   0.17
    19   1    -0.04   0.05   0.18     0.05  -0.05  -0.22     0.03   0.01  -0.08
    20   1    -0.06   0.13  -0.05     0.11  -0.22   0.09     0.01  -0.05   0.03
    21   1    -0.01  -0.08   0.04     0.02   0.23  -0.11     0.01  -0.05   0.04
    22   1    -0.05   0.06  -0.02     0.10  -0.02  -0.00    -0.02   0.01   0.00
    23   1     0.04  -0.30  -0.08     0.03  -0.11  -0.04    -0.21  -0.04  -0.07
    24   1    -0.05   0.62   0.27    -0.04   0.26   0.10     0.24   0.07   0.18
    25   1    -0.17  -0.12   0.11    -0.06  -0.04   0.04     0.10  -0.01   0.01
    26   1    -0.06  -0.12   0.03    -0.00  -0.04  -0.01    -0.20  -0.11   0.19
    27   1     0.13   0.00  -0.09     0.05   0.00  -0.04     0.12   0.03   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    915.7661               950.4378               958.9494
 Red. masses --      2.4832                 2.0266                 1.6126
 Frc consts  --      1.2269                 1.0786                 0.8737
 IR Inten    --      0.7214                20.6559                17.2748
 RamAct Fr= 1--     12.9067                 9.5819                13.6508
  Dep-P Fr= 1--      0.4727                 0.6161                 0.3706
  Dep-U Fr= 1--      0.6419                 0.7624                 0.5408
 Alpha2 Fr= 1--      0.0720                 0.0235                 0.1120
 Beta2  Fr= 1--      1.3809                 1.2176                 1.2304
 AlphaG Fr= 1--      0.3353                 0.0739                 0.3116
 Gamma2 Fr= 1--      1.6287                 2.4754                 2.2686
 Delta2 Fr= 1--      0.4747                -0.7420                 0.9639
 Raman1 Fr= 1--      51.627                 38.327                 54.603
 ROA1   Fr= 1--     171.546                213.894                248.634
 CID1   Fr= 1--       3.323                  5.581                  4.553
 Raman2 Fr= 1--      16.571                 14.611                 14.765
 ROA2   Fr= 1--      35.292                 65.345                 46.736
 CID2   Fr= 1--       2.130                  4.472                  3.165
 Raman3 Fr= 1--      33.141                 29.222                 29.530
 ROA3   Fr= 1--     171.546                213.894                248.634
 CID3   Fr= 1--       5.176                  7.320                  8.420
 RC180  Fr= 1--       0.284                  0.525                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.13    -0.01   0.06   0.00    -0.01   0.08   0.07
     2   6     0.06   0.04   0.08    -0.01   0.07  -0.01    -0.00   0.03  -0.08
     3   6    -0.08   0.08   0.07     0.04  -0.01   0.01    -0.04   0.07   0.00
     4   6     0.04  -0.05  -0.05    -0.02   0.02  -0.03     0.01  -0.03   0.01
     5   6     0.13   0.04   0.16     0.00  -0.02   0.01    -0.00   0.03   0.01
     6   6     0.02   0.03  -0.05    -0.06  -0.02   0.02     0.06   0.02  -0.02
     7   8    -0.04   0.02  -0.08     0.00  -0.01   0.03    -0.00   0.01  -0.04
     8   6     0.03   0.03   0.03     0.01  -0.07   0.01     0.02  -0.09  -0.04
     9   6     0.03  -0.05   0.01     0.14  -0.10  -0.05     0.00   0.01  -0.02
    10   6    -0.06  -0.07  -0.03    -0.13   0.11   0.05    -0.01  -0.06  -0.00
    11   6    -0.07  -0.03   0.00     0.00   0.03  -0.07    -0.00  -0.03   0.07
    12   1     0.04   0.14   0.04     0.05  -0.20  -0.01    -0.03  -0.12  -0.03
    13   1     0.02  -0.21  -0.05     0.27  -0.38  -0.04     0.01   0.19   0.05
    14   1    -0.27   0.29   0.12     0.03  -0.13  -0.03    -0.03   0.15   0.03
    15   1    -0.12   0.09   0.09    -0.33  -0.03   0.01     0.09  -0.01   0.00
    16   1     0.01  -0.21   0.08    -0.29   0.18  -0.00    -0.06  -0.09   0.02
    17   1    -0.05  -0.05  -0.22    -0.02  -0.10  -0.30     0.01  -0.11  -0.29
    18   1    -0.04  -0.05  -0.16     0.02  -0.08   0.19     0.04  -0.09   0.33
    19   1    -0.01  -0.03  -0.01     0.06  -0.08   0.18     0.08  -0.10   0.24
    20   1    -0.06   0.17  -0.13     0.04  -0.13   0.13     0.01  -0.13   0.23
    21   1    -0.04  -0.05  -0.04     0.05  -0.08   0.11     0.09  -0.26   0.27
    22   1    -0.01  -0.19   0.05     0.00   0.08  -0.00    -0.09   0.33  -0.07
    23   1    -0.11   0.07   0.00    -0.02   0.01  -0.03    -0.02  -0.04   0.01
    24   1     0.33  -0.39   0.01     0.09   0.11   0.05    -0.06  -0.22  -0.08
    25   1     0.09   0.02  -0.01     0.20   0.02  -0.04    -0.21  -0.01   0.03
    26   1    -0.19  -0.06   0.18    -0.13  -0.07   0.13     0.14   0.08  -0.13
    27   1    -0.03   0.00   0.08     0.21   0.07  -0.04    -0.24  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    967.8161               970.5744              1004.6074
 Red. masses --      1.7959                 1.6004                 1.4682
 Frc consts  --      0.9911                 0.8882                 0.8730
 IR Inten    --     22.8571                 4.1254                 0.7502
 RamAct Fr= 1--     17.4334                10.7280                11.3701
  Dep-P Fr= 1--      0.2148                 0.3885                 0.3115
  Dep-U Fr= 1--      0.3536                 0.5596                 0.4750
 Alpha2 Fr= 1--      0.2276                 0.0827                 0.1126
 Beta2  Fr= 1--      1.0274                 1.0006                 0.9002
 AlphaG Fr= 1--     -0.7290                 0.2111                 0.2412
 Gamma2 Fr= 1--     -5.3675                 2.0752                 4.5494
 Delta2 Fr= 1--     -3.0411                 0.9035                 1.1118
 Raman1 Fr= 1--      69.734                 42.912                 45.481
 ROA1   Fr= 1--    -612.596                228.129                472.316
 CID1   Fr= 1--      -8.785                  5.316                 10.385
 Raman2 Fr= 1--      12.329                 12.007                 10.802
 ROA2   Fr= 1--    -104.491                 42.576                100.290
 CID2   Fr= 1--      -8.476                  3.546                  9.284
 Raman3 Fr= 1--      24.657                 24.015                 21.605
 ROA3   Fr= 1--    -612.596                228.129                472.316
 CID3   Fr= 1--     -24.845                  9.499                 21.862
 RC180  Fr= 1--      -0.293                  0.119                 -0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.02  -0.08   0.04     0.08  -0.04   0.03
     2   6    -0.01   0.05   0.05     0.01  -0.04  -0.03     0.01  -0.08  -0.03
     3   6    -0.02  -0.10  -0.03     0.01   0.08   0.00    -0.03   0.03   0.05
     4   6    -0.03   0.03   0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.02
     5   6     0.01  -0.04   0.01    -0.02   0.02   0.00     0.01   0.01   0.02
     6   6     0.10   0.03  -0.04     0.04   0.02  -0.01     0.01   0.01  -0.01
     7   8    -0.01   0.02  -0.07    -0.00   0.01  -0.03    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.05     0.01   0.03   0.01    -0.09   0.01  -0.08
     9   6     0.01  -0.02   0.00     0.10  -0.02  -0.07     0.05   0.00   0.02
    10   6     0.02   0.09   0.01    -0.08   0.02   0.06    -0.02   0.04   0.00
    11   6    -0.01  -0.04   0.12     0.01  -0.02   0.06    -0.01  -0.00   0.01
    12   1     0.02   0.11   0.02    -0.09  -0.35  -0.02     0.08   0.26   0.06
    13   1     0.03  -0.31  -0.08     0.29   0.10   0.14     0.02  -0.11  -0.05
    14   1    -0.10  -0.31  -0.09    -0.03   0.06  -0.01    -0.06  -0.09   0.01
    15   1    -0.14  -0.01  -0.01    -0.13  -0.10  -0.01    -0.20   0.02   0.04
    16   1     0.12   0.16  -0.05    -0.26   0.13  -0.02     0.14   0.07  -0.02
    17   1    -0.07  -0.05  -0.18     0.10   0.15   0.41    -0.11   0.05   0.26
    18   1    -0.04  -0.06  -0.08     0.05   0.16  -0.05    -0.11  -0.02  -0.37
    19   1    -0.01  -0.01   0.13    -0.03   0.08  -0.34    -0.08   0.09   0.22
    20   1     0.03  -0.03  -0.05    -0.03   0.10  -0.13     0.14  -0.33   0.25
    21   1    -0.02   0.10  -0.10    -0.04   0.03  -0.09     0.08   0.25   0.02
    22   1     0.07  -0.20   0.06     0.01  -0.15   0.03     0.07   0.42  -0.15
    23   1    -0.13   0.04   0.02    -0.08  -0.04  -0.01    -0.01  -0.05  -0.03
    24   1    -0.18   0.24   0.11    -0.08  -0.19  -0.07     0.06  -0.12  -0.02
    25   1    -0.38  -0.06   0.08    -0.16  -0.01   0.02    -0.02  -0.00   0.01
    26   1     0.22   0.10  -0.22     0.13   0.08  -0.12    -0.00  -0.00   0.00
    27   1    -0.32  -0.12   0.03    -0.19  -0.06   0.03    -0.02  -0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1022.7939              1030.4061              1052.3867
 Red. masses --      1.5494                 1.4418                 1.6726
 Frc consts  --      0.9550                 0.9020                 1.0915
 IR Inten    --      6.6896                21.3076                 1.3480
 RamAct Fr= 1--      4.6411                 4.7512                 4.9312
  Dep-P Fr= 1--      0.2026                 0.7455                 0.6673
  Dep-U Fr= 1--      0.3369                 0.8542                 0.8005
 Alpha2 Fr= 1--      0.0626                 0.0004                 0.0072
 Beta2  Fr= 1--      0.2606                 0.6764                 0.6579
 AlphaG Fr= 1--     -0.4214                -0.0565                -0.2613
 Gamma2 Fr= 1--     -2.9270                -1.3178                -1.8973
 Delta2 Fr= 1--     -0.3867                -0.7840                -0.1389
 Raman1 Fr= 1--      18.565                 19.005                 19.725
 ROA1   Fr= 1--    -293.364               -151.593               -186.583
 CID1   Fr= 1--     -15.802                 -7.977                 -9.459
 Raman2 Fr= 1--       3.128                  8.117                  7.894
 ROA2   Fr= 1--     -67.153                -25.355                -44.424
 CID2   Fr= 1--     -21.471                 -3.124                 -5.627
 Raman3 Fr= 1--       6.255                 16.233                 15.789
 ROA3   Fr= 1--    -293.364               -151.593               -186.583
 CID3   Fr= 1--     -46.899                 -9.338                -11.817
 RC180  Fr= 1--      -0.326                  0.708                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.04  -0.01     0.03   0.01   0.00     0.01  -0.00   0.00
     2   6     0.00   0.07  -0.02     0.00   0.02  -0.02     0.00   0.00  -0.01
     3   6     0.03   0.07  -0.04    -0.00   0.07   0.00    -0.01   0.03   0.01
     4   6     0.01   0.01   0.03     0.02  -0.09  -0.02     0.02  -0.09  -0.03
     5   6    -0.02   0.04  -0.01     0.00  -0.04  -0.02    -0.01   0.05   0.02
     6   6    -0.01  -0.03   0.00    -0.02   0.09   0.04     0.03  -0.16  -0.06
     7   8     0.01  -0.00   0.02     0.00  -0.02  -0.00    -0.01   0.03   0.01
     8   6    -0.05  -0.03   0.09    -0.02  -0.02   0.02    -0.01  -0.00   0.00
     9   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.03     0.00  -0.00  -0.01
    10   6    -0.00  -0.08   0.03    -0.01  -0.04   0.01    -0.01  -0.01   0.00
    11   6     0.00   0.02  -0.00     0.01  -0.08  -0.03    -0.02   0.11   0.04
    12   1    -0.18  -0.13  -0.01    -0.07  -0.08  -0.01    -0.01  -0.04  -0.01
    13   1     0.05   0.12   0.08     0.03   0.11   0.05     0.01   0.05   0.02
    14   1     0.12  -0.08  -0.08     0.02   0.00  -0.02    -0.01   0.00  -0.00
    15   1    -0.08  -0.17  -0.00     0.00  -0.05   0.00     0.03   0.00  -0.00
    16   1     0.08   0.00  -0.04     0.03  -0.02  -0.01     0.01  -0.01  -0.00
    17   1    -0.14  -0.05  -0.11    -0.05  -0.01  -0.01    -0.01  -0.00   0.01
    18   1    -0.10  -0.09  -0.21    -0.03  -0.03  -0.08     0.00  -0.00  -0.01
    19   1    -0.03   0.03   0.37    -0.02   0.02   0.13    -0.00   0.01   0.01
    20   1     0.12  -0.20  -0.05     0.06  -0.10   0.01     0.01  -0.03   0.01
    21   1    -0.03   0.29  -0.23     0.00   0.11  -0.07     0.00   0.02  -0.01
    22   1     0.19  -0.35   0.09     0.07  -0.07   0.02     0.01   0.00  -0.00
    23   1     0.06  -0.29  -0.08    -0.08   0.60   0.22    -0.08   0.59   0.22
    24   1    -0.01  -0.29  -0.13    -0.09   0.43   0.15    -0.04   0.20   0.07
    25   1    -0.03  -0.04   0.03     0.23   0.18  -0.16    -0.30  -0.25   0.23
    26   1     0.01  -0.04  -0.01    -0.04   0.16   0.07     0.04  -0.24  -0.08
    27   1     0.09   0.02  -0.06    -0.22  -0.03   0.21     0.34   0.05  -0.30
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1097.4212              1155.8150              1183.5416
 Red. masses --      1.8682                 1.9414                 1.9104
 Frc consts  --      1.3256                 1.5281                 1.5767
 IR Inten    --     15.7117                18.9303                40.4280
 RamAct Fr= 1--     68.7077                48.0398                32.7758
  Dep-P Fr= 1--      0.2483                 0.3972                 0.3799
  Dep-U Fr= 1--      0.3979                 0.5686                 0.5506
 Alpha2 Fr= 1--      0.8181                 0.3594                 0.2605
 Beta2  Fr= 1--      4.5560                 4.5527                 3.0078
 AlphaG Fr= 1--     -0.2757                 0.0671                -0.0207
 Gamma2 Fr= 1--     -2.4580                 0.5560                 4.5578
 Delta2 Fr= 1--      4.3391                 0.5243                 1.6846
 Raman1 Fr= 1--     274.831                192.159                131.103
 ROA1   Fr= 1--     -97.119                 70.158                491.459
 CID1   Fr= 1--      -0.353                  0.365                  3.749
 Raman2 Fr= 1--      54.672                 54.632                 36.093
 ROA2   Fr= 1--     -93.706                  9.150                 95.911
 CID2   Fr= 1--      -1.714                  0.167                  2.657
 Raman3 Fr= 1--     109.344                109.264                 72.187
 ROA3   Fr= 1--     -97.119                 70.158                491.459
 CID3   Fr= 1--      -0.888                  0.642                  6.808
 RC180  Fr= 1--      -0.204                  0.137                  0.101
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.02   0.03  -0.03    -0.09   0.02   0.01
     2   6     0.02  -0.03   0.05     0.04  -0.04   0.06     0.20  -0.03  -0.03
     3   6     0.18   0.12  -0.04     0.14  -0.10   0.09    -0.02  -0.01   0.00
     4   6    -0.03  -0.01  -0.05    -0.09   0.04  -0.09     0.01   0.01   0.00
     5   6    -0.04   0.00  -0.00    -0.01  -0.03   0.04    -0.00   0.00  -0.01
     6   6    -0.03  -0.00   0.00    -0.06  -0.01  -0.01     0.08   0.01   0.00
     7   8     0.01   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.02
     8   6     0.02   0.02  -0.03    -0.05   0.02  -0.01    -0.09   0.01   0.02
     9   6    -0.05  -0.01   0.03    -0.04  -0.01  -0.04    -0.01  -0.08   0.02
    10   6    -0.01  -0.08   0.07     0.00   0.02   0.00    -0.08   0.04  -0.02
    11   6     0.03  -0.00   0.01     0.05  -0.00   0.03    -0.04   0.00  -0.02
    12   1    -0.05   0.44   0.11    -0.08  -0.27  -0.07     0.10  -0.02  -0.03
    13   1    -0.08  -0.24  -0.08     0.00   0.25   0.09    -0.12   0.32   0.06
    14   1     0.14  -0.02  -0.08     0.10   0.56   0.28    -0.15   0.00  -0.00
    15   1    -0.44  -0.30   0.05     0.13   0.03  -0.02     0.04   0.11  -0.01
    16   1     0.26   0.09  -0.07    -0.19  -0.03   0.05     0.39   0.07  -0.04
    17   1     0.06  -0.02  -0.11    -0.04  -0.04  -0.12     0.18  -0.01  -0.15
    18   1     0.05   0.01   0.17    -0.03  -0.07  -0.04     0.10   0.06   0.36
    19   1     0.04  -0.06  -0.15     0.02  -0.02   0.11     0.10  -0.13  -0.20
    20   1    -0.04   0.08   0.00     0.05  -0.10   0.04     0.11  -0.20  -0.01
    21   1     0.01  -0.07   0.06     0.01   0.20  -0.06     0.01   0.33  -0.14
    22   1    -0.06   0.11  -0.03     0.06   0.08  -0.03     0.19  -0.01  -0.01
    23   1    -0.32  -0.00  -0.04    -0.21   0.03  -0.09    -0.08  -0.04  -0.01
    24   1    -0.14  -0.05  -0.02     0.23   0.09   0.08    -0.23  -0.04  -0.03
    25   1    -0.05   0.01  -0.01    -0.10   0.02  -0.00     0.05  -0.03   0.02
    26   1     0.09   0.05  -0.08     0.17   0.07  -0.15    -0.13  -0.07   0.12
    27   1    -0.05  -0.02  -0.01    -0.07  -0.04  -0.04     0.04   0.03   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.3048              1217.0610              1232.2660
 Red. masses --      1.6011                 1.8362                 1.8176
 Frc consts  --      1.3276                 1.6025                 1.6262
 IR Inten    --     22.8343                 6.2425                29.9138
 RamAct Fr= 1--      5.5772                19.6857                 2.5372
  Dep-P Fr= 1--      0.6956                 0.3662                 0.7223
  Dep-U Fr= 1--      0.8205                 0.5361                 0.8387
 Alpha2 Fr= 1--      0.0053                 0.1638                 0.0012
 Beta2  Fr= 1--      0.7627                 1.7589                 0.3547
 AlphaG Fr= 1--      0.0071                -0.0531                -0.0015
 Gamma2 Fr= 1--     -4.0661                -3.4228                 0.2279
 Delta2 Fr= 1--     -1.6978                -3.2346                 0.4955
 Raman1 Fr= 1--      22.309                 78.743                 10.149
 ROA1   Fr= 1--    -444.677               -432.099                 37.733
 CID1   Fr= 1--     -19.933                 -5.487                  3.718
 Raman2 Fr= 1--       9.152                 21.107                  4.256
 ROA2   Fr= 1--     -84.005                -56.271                  1.505
 CID2   Fr= 1--      -9.179                 -2.666                  0.354
 Raman3 Fr= 1--      18.305                 42.215                  8.512
 ROA3   Fr= 1--    -444.677               -432.099                 37.733
 CID3   Fr= 1--     -24.293                -10.236                  4.433
 RC180  Fr= 1--       0.641                  0.072                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.03     0.05   0.01   0.01     0.03   0.04  -0.02
     2   6     0.02   0.03  -0.08    -0.13  -0.02  -0.04    -0.07  -0.10   0.05
     3   6    -0.03   0.04   0.03     0.07  -0.01   0.07    -0.03  -0.02  -0.10
     4   6    -0.03  -0.01  -0.01    -0.06   0.01  -0.06     0.08  -0.00   0.08
     5   6     0.00  -0.01   0.04    -0.00   0.00  -0.01     0.02   0.00  -0.01
     6   6    -0.14  -0.02  -0.00     0.11   0.02  -0.00    -0.11  -0.02  -0.00
     7   8     0.01   0.02  -0.04    -0.01  -0.01   0.01     0.02   0.00  -0.00
     8   6     0.00  -0.01   0.03     0.06   0.02   0.02     0.03   0.03  -0.01
     9   6     0.02  -0.04   0.06     0.05  -0.05   0.07     0.06  -0.07  -0.02
    10   6    -0.05   0.00  -0.05    -0.03   0.03  -0.08    -0.03   0.04   0.03
    11   6     0.07  -0.00   0.04    -0.04  -0.00  -0.02     0.03   0.00   0.01
    12   1     0.15   0.05  -0.00     0.21  -0.13  -0.04     0.02   0.10   0.04
    13   1    -0.12   0.11  -0.02    -0.16   0.47   0.06     0.02   0.50   0.15
    14   1     0.34  -0.33  -0.05     0.30  -0.08   0.06    -0.49   0.23  -0.06
    15   1    -0.02   0.14   0.03    -0.31   0.15   0.07    -0.19  -0.04   0.01
    16   1     0.28  -0.05  -0.00     0.28  -0.10   0.02     0.29   0.17  -0.07
    17   1     0.07   0.02   0.05    -0.11  -0.01   0.03    -0.10  -0.04  -0.13
    18   1     0.04   0.05   0.11    -0.04  -0.06  -0.10    -0.04  -0.11  -0.01
    19   1     0.01  -0.02  -0.08    -0.03   0.04   0.18     0.01  -0.02   0.17
    20   1     0.02  -0.02  -0.05    -0.06   0.16  -0.08    -0.08   0.17  -0.06
    21   1    -0.02   0.00  -0.03    -0.05  -0.16  -0.01    -0.02  -0.04  -0.03
    22   1     0.04  -0.13   0.04    -0.10  -0.13   0.06    -0.10   0.04   0.00
    23   1     0.24   0.02  -0.02    -0.24  -0.01  -0.06     0.10  -0.01   0.08
    24   1     0.55   0.04   0.06    -0.17  -0.02  -0.02     0.00   0.02   0.01
    25   1    -0.09   0.06  -0.03     0.03  -0.05   0.03    -0.01   0.05  -0.03
    26   1     0.24   0.12  -0.22    -0.15  -0.08   0.14     0.13   0.06  -0.12
    27   1    -0.08  -0.05  -0.06     0.02   0.03   0.05     0.00  -0.02  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1246.9559              1263.0307              1280.1866
 Red. masses --      1.6031                 1.4515                 1.8590
 Frc consts  --      1.4686                 1.3642                 1.7950
 IR Inten    --     13.5092                 4.4036                 6.8116
 RamAct Fr= 1--     29.2890                23.6337                 8.0549
  Dep-P Fr= 1--      0.3277                 0.3577                 0.4135
  Dep-U Fr= 1--      0.4936                 0.5269                 0.5850
 Alpha2 Fr= 1--      0.2760                 0.2024                 0.0568
 Beta2  Fr= 1--      2.4097                 2.0753                 0.7854
 AlphaG Fr= 1--     -0.0284                 0.1161                 0.1418
 Gamma2 Fr= 1--     -1.8706                 1.7954                 4.1682
 Delta2 Fr= 1--     -3.3382                 2.0812                 2.4168
 Raman1 Fr= 1--     117.156                 94.535                 32.219
 ROA1   Fr= 1--    -286.397                238.960                477.479
 CID1   Fr= 1--      -2.445                  2.528                 14.820
 Raman2 Fr= 1--      28.916                 24.904                  9.425
 ROA2   Fr= 1--     -18.187                 26.441                 80.701
 CID2   Fr= 1--      -0.629                  1.062                  8.563
 Raman3 Fr= 1--      57.832                 49.807                 18.850
 ROA3   Fr= 1--    -286.397                238.960                477.479
 CID3   Fr= 1--      -4.952                  4.798                 25.331
 RC180  Fr= 1--      -0.013                  0.054                  0.170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.01  -0.00  -0.01     0.00  -0.06  -0.03
     2   6    -0.00   0.15   0.06    -0.04   0.00   0.04     0.01   0.16   0.13
     3   6     0.02  -0.04  -0.05     0.01  -0.02  -0.02     0.02   0.02   0.03
     4   6     0.02   0.01   0.02    -0.05   0.00  -0.01     0.02   0.01  -0.01
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     6   6    -0.03  -0.01  -0.00     0.06   0.01  -0.00    -0.03  -0.01   0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01   0.00   0.00
     8   6    -0.00  -0.05  -0.03     0.02  -0.00  -0.01    -0.01  -0.05  -0.05
     9   6     0.00   0.06   0.04     0.04  -0.02  -0.07    -0.01  -0.13  -0.05
    10   6    -0.08  -0.04  -0.02    -0.12  -0.02   0.08     0.02   0.02  -0.04
    11   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.01   0.00   0.00
    12   1     0.09  -0.53  -0.12    -0.14   0.34   0.11    -0.12   0.25   0.07
    13   1    -0.05  -0.14  -0.07     0.16   0.01   0.05    -0.08   0.52   0.13
    14   1    -0.09   0.28   0.03     0.33   0.07   0.03    -0.08  -0.43  -0.10
    15   1    -0.09  -0.00   0.01     0.66   0.02  -0.11     0.11   0.05  -0.04
    16   1     0.58   0.01  -0.06     0.34   0.18  -0.08    -0.28  -0.13   0.08
    17   1     0.01   0.04   0.16    -0.04  -0.01  -0.00     0.02   0.03   0.10
    18   1     0.01   0.10  -0.16    -0.02  -0.01  -0.06     0.02   0.11  -0.13
    19   1    -0.08   0.09  -0.14    -0.01   0.02   0.02    -0.08   0.08  -0.15
    20   1     0.01  -0.10   0.17    -0.04   0.06   0.02    -0.02  -0.07   0.17
    21   1     0.07  -0.06   0.13     0.01  -0.05   0.04     0.10  -0.01   0.16
    22   1    -0.02   0.11  -0.04    -0.05   0.04  -0.01    -0.00   0.16  -0.06
    23   1    -0.04  -0.02   0.02     0.16   0.02  -0.01    -0.16  -0.05  -0.02
    24   1    -0.07   0.02  -0.00     0.11   0.02  -0.00    -0.15  -0.03  -0.00
    25   1    -0.00   0.01  -0.01    -0.00  -0.03   0.02     0.00   0.02  -0.01
    26   1     0.03   0.01  -0.03    -0.07  -0.03   0.06     0.03   0.02  -0.03
    27   1     0.01  -0.00  -0.02    -0.01   0.01   0.04     0.01  -0.01  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.3859              1316.9764              1338.6069
 Red. masses --      1.4622                 1.7636                 1.4606
 Frc consts  --      1.4456                 1.8023                 1.5420
 IR Inten    --     33.2296                15.7749                 0.0446
 RamAct Fr= 1--      8.7541                 4.7397                33.5492
  Dep-P Fr= 1--      0.4062                 0.2804                 0.3089
  Dep-U Fr= 1--      0.5777                 0.4380                 0.4720
 Alpha2 Fr= 1--      0.0634                 0.0515                 0.3350
 Beta2  Fr= 1--      0.8428                 0.3460                 2.6390
 AlphaG Fr= 1--      0.0390                -0.0327                 0.0441
 Gamma2 Fr= 1--     -2.5747                 0.9372                -0.4215
 Delta2 Fr= 1--     -2.9067                 0.9386                 0.5001
 Raman1 Fr= 1--      35.017                 18.959                134.197
 ROA1   Fr= 1--    -340.182                120.007                -24.464
 CID1   Fr= 1--      -9.715                  6.330                 -0.182
 Raman2 Fr= 1--      10.114                  4.152                 31.668
 ROA2   Fr= 1--     -38.538                 14.984                -14.118
 CID2   Fr= 1--      -3.810                  3.609                 -0.446
 Raman3 Fr= 1--      20.228                  8.304                 63.336
 ROA3   Fr= 1--    -340.182                120.007                -24.464
 CID3   Fr= 1--     -16.817                 14.451                 -0.386
 RC180  Fr= 1--       0.155                 -0.124                 -0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.01   0.04  -0.03     0.00  -0.01   0.01
     2   6    -0.02  -0.06  -0.02     0.03  -0.11   0.18    -0.02   0.02  -0.04
     3   6     0.04   0.03   0.08     0.00   0.07  -0.03     0.04  -0.00   0.01
     4   6     0.06   0.01  -0.02    -0.04  -0.00  -0.01     0.02   0.05  -0.12
     5   6     0.05   0.01  -0.00    -0.04  -0.01   0.03    -0.01  -0.05   0.13
     6   6    -0.09  -0.01   0.00     0.05   0.01  -0.00    -0.04  -0.01  -0.00
     7   8     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01    -0.00   0.02  -0.05     0.00  -0.00   0.01
     9   6     0.01   0.06   0.00    -0.01   0.06  -0.01     0.00  -0.01   0.01
    10   6    -0.08  -0.01  -0.03    -0.00  -0.01  -0.03    -0.01  -0.00  -0.00
    11   6     0.02  -0.00   0.01    -0.00   0.00  -0.01     0.02   0.00   0.01
    12   1     0.00  -0.16  -0.03     0.01  -0.51  -0.13     0.00   0.07   0.02
    13   1     0.05  -0.18  -0.05     0.06   0.06   0.05    -0.03  -0.02  -0.02
    14   1    -0.25  -0.39  -0.06     0.12  -0.48  -0.17    -0.12   0.06   0.01
    15   1     0.49   0.18  -0.06    -0.06   0.06   0.02     0.03   0.02  -0.00
    16   1     0.09  -0.06   0.00     0.02  -0.04  -0.00     0.01  -0.00  -0.01
    17   1    -0.05  -0.02  -0.05    -0.03  -0.08  -0.24     0.02   0.01   0.03
    18   1    -0.02  -0.07   0.02    -0.08  -0.09  -0.08     0.00   0.04  -0.02
    19   1     0.02  -0.02   0.06     0.08  -0.06  -0.07    -0.01   0.01   0.02
    20   1     0.00   0.03  -0.04    -0.07   0.08   0.05     0.02  -0.02  -0.01
    21   1    -0.03  -0.01  -0.03     0.05   0.07   0.03    -0.02  -0.03  -0.02
    22   1    -0.01  -0.04   0.01    -0.05   0.18  -0.05    -0.00  -0.04   0.02
    23   1    -0.48  -0.10  -0.02     0.42   0.04  -0.03     0.66   0.16  -0.13
    24   1    -0.31  -0.07  -0.02     0.10  -0.02   0.02    -0.64  -0.15   0.11
    25   1     0.02   0.06  -0.04    -0.02  -0.04   0.02    -0.02   0.03  -0.02
    26   1     0.08   0.05  -0.09    -0.05  -0.02   0.05     0.03   0.01  -0.01
    27   1     0.03  -0.02  -0.06    -0.03   0.01   0.04    -0.01  -0.02  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1381.8526              1398.8494              1406.0830
 Red. masses --      1.2815                 1.5329                 1.3440
 Frc consts  --      1.4418                 1.7673                 1.5656
 IR Inten    --     15.9120                65.5414                18.5826
 RamAct Fr= 1--      1.3651                 5.5436                 1.0334
  Dep-P Fr= 1--      0.7476                 0.1522                 0.1119
  Dep-U Fr= 1--      0.8556                 0.2642                 0.2012
 Alpha2 Fr= 1--      0.0001                 0.0852                 0.0176
 Beta2  Fr= 1--      0.1947                 0.2441                 0.0347
 AlphaG Fr= 1--      0.0003                 0.0365                -0.0161
 Gamma2 Fr= 1--     -0.5003                 0.3851                 0.1074
 Delta2 Fr= 1--     -0.3506                 0.1322                -0.0509
 Raman1 Fr= 1--       5.460                 22.174                  4.134
 ROA1   Fr= 1--     -59.254                 41.201                  8.685
 CID1   Fr= 1--     -10.851                  1.858                  2.101
 Raman2 Fr= 1--       2.336                  2.929                  0.416
 ROA2   Fr= 1--      -9.203                  8.185                  2.986
 CID2   Fr= 1--      -3.940                  2.794                  7.179
 Raman3 Fr= 1--       4.672                  5.858                  0.832
 ROA3   Fr= 1--     -59.254                 41.201                  8.685
 CID3   Fr= 1--     -12.683                  7.033                 10.442
 RC180  Fr= 1--       0.711                 -0.472                 -0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.00   0.01   0.03     0.01   0.00   0.08
     2   6     0.01  -0.01   0.02     0.01  -0.02   0.03    -0.01   0.03  -0.05
     3   6    -0.06  -0.01  -0.01    -0.13  -0.02  -0.01     0.05   0.00   0.01
     4   6     0.00   0.00  -0.01     0.05   0.01  -0.02    -0.01  -0.00   0.01
     5   6     0.03   0.01   0.00     0.09   0.01   0.00    -0.03  -0.00  -0.00
     6   6     0.02   0.01  -0.01    -0.09  -0.02  -0.00     0.02   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.03   0.01     0.02  -0.11   0.06
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6     0.01   0.00   0.01     0.02   0.01   0.02    -0.01   0.00  -0.01
    11   6    -0.10  -0.04   0.08     0.07   0.02  -0.03    -0.02  -0.00   0.01
    12   1     0.02  -0.01  -0.02     0.05   0.00  -0.03    -0.01   0.05   0.02
    13   1     0.04   0.01   0.03     0.08   0.01   0.06    -0.04  -0.03  -0.04
    14   1     0.32   0.04   0.03     0.63   0.10   0.06    -0.25   0.00  -0.00
    15   1    -0.07  -0.02   0.02    -0.11  -0.03   0.03     0.05  -0.01  -0.03
    16   1     0.00   0.03  -0.01     0.00   0.06  -0.02     0.01  -0.05   0.03
    17   1     0.01  -0.02  -0.05     0.02  -0.08  -0.16    -0.01  -0.16  -0.23
    18   1    -0.03  -0.01  -0.03    -0.09  -0.02  -0.14    -0.13   0.04  -0.27
    19   1     0.03  -0.02  -0.05     0.07  -0.02  -0.17     0.04   0.07  -0.29
    20   1    -0.02   0.03  -0.00    -0.11   0.13  -0.06    -0.25   0.30  -0.24
    21   1     0.02   0.03   0.00     0.05   0.15  -0.06     0.07   0.35  -0.30
    22   1     0.00   0.03  -0.01    -0.01   0.15  -0.01    -0.07   0.42  -0.00
    23   1    -0.04   0.00  -0.01    -0.22  -0.02  -0.02     0.03   0.01   0.01
    24   1    -0.16  -0.02  -0.01    -0.36  -0.06  -0.01     0.12   0.02   0.00
    25   1     0.37   0.38  -0.17    -0.20  -0.14   0.05     0.04   0.02  -0.01
    26   1     0.20   0.16  -0.36    -0.06  -0.06   0.15     0.01   0.01  -0.03
    27   1     0.45  -0.07  -0.32    -0.22   0.01   0.10     0.05  -0.00  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.5777              1464.8602              1474.3214
 Red. masses --      1.2288                 1.0592                 1.0480
 Frc consts  --      1.4652                 1.3391                 1.3421
 IR Inten    --      3.5633                15.0211                 9.1616
 RamAct Fr= 1--      1.5328                 8.0195                 5.1804
  Dep-P Fr= 1--      0.5853                 0.3732                 0.7492
  Dep-U Fr= 1--      0.7384                 0.5436                 0.8566
 Alpha2 Fr= 1--      0.0047                 0.0652                 0.0001
 Beta2  Fr= 1--      0.1886                 0.7265                 0.7396
 AlphaG Fr= 1--     -0.0038                 0.0179                 0.0024
 Gamma2 Fr= 1--     -0.0046                 0.3490                 0.0743
 Delta2 Fr= 1--      0.0354                 0.1268                 0.0947
 Raman1 Fr= 1--       6.131                 32.078                 20.722
 ROA1   Fr= 1--       0.687                 37.558                 10.163
 CID1   Fr= 1--       0.112                  1.171                  0.490
 Raman2 Fr= 1--       2.264                  8.719                  8.875
 ROA2   Fr= 1--      -0.394                  7.361                  1.026
 CID2   Fr= 1--      -0.174                  0.844                  0.116
 Raman3 Fr= 1--       4.528                 17.437                 17.751
 ROA3   Fr= 1--       0.687                 37.558                 10.163
 CID3   Fr= 1--       0.152                  2.154                  0.573
 RC180  Fr= 1--       0.477                  0.087                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.11    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.01     0.01   0.00  -0.01     0.00  -0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.02     0.00  -0.02  -0.01
     7   8     0.00  -0.00   0.00     0.00   0.01  -0.02    -0.00   0.00   0.00
     8   6     0.02  -0.07   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00   0.00    -0.05   0.00  -0.03     0.01  -0.05  -0.02
    12   1     0.06  -0.04  -0.04     0.01   0.00  -0.00     0.00   0.00  -0.00
    13   1     0.05  -0.03   0.04     0.01  -0.00   0.01     0.00   0.00   0.00
    14   1     0.07  -0.04  -0.00     0.02   0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.03   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.03  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.01   0.23   0.38     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.23   0.02   0.40    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.14  -0.04   0.45     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.21   0.24  -0.12    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    21   1     0.09   0.28  -0.17     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.04   0.30  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.01  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01   0.00    -0.05  -0.01   0.01     0.00  -0.01  -0.00
    25   1    -0.00   0.00  -0.00     0.28  -0.45   0.33    -0.47   0.02  -0.11
    26   1     0.00  -0.00   0.00     0.21   0.17  -0.37    -0.12   0.68   0.24
    27   1    -0.00  -0.00  -0.00     0.17   0.21   0.57     0.45   0.09   0.15
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.3164              1486.5986              1492.6731
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3867                 1.3620                 1.3982
 IR Inten    --      1.0288                 0.3068                 8.2866
 RamAct Fr= 1--      6.9566                 7.8859                 9.9792
  Dep-P Fr= 1--      0.6832                 0.7091                 0.7048
  Dep-U Fr= 1--      0.8118                 0.8298                 0.8269
 Alpha2 Fr= 1--      0.0082                 0.0056                 0.0078
 Beta2  Fr= 1--      0.9412                 1.0906                 1.3752
 AlphaG Fr= 1--      0.0053                 0.0092                -0.0348
 Gamma2 Fr= 1--      1.5356                -1.8728                -1.4450
 Delta2 Fr= 1--      0.2550                -0.9055                 0.4928
 Raman1 Fr= 1--      27.826                 31.543                 39.917
 ROA1   Fr= 1--     155.572               -208.760               -122.954
 CID1   Fr= 1--       5.591                 -6.618                 -3.080
 Raman2 Fr= 1--      11.294                 13.088                 16.503
 ROA2   Fr= 1--      34.814                -37.702                -38.623
 CID2   Fr= 1--       3.082                 -2.881                 -2.340
 Raman3 Fr= 1--      22.588                 26.175                 33.006
 ROA3   Fr= 1--     155.572               -208.760               -122.954
 CID3   Fr= 1--       6.887                 -7.975                 -3.725
 RC180  Fr= 1--       0.624                  0.660                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.04  -0.00  -0.00     0.00  -0.02  -0.00
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.01   0.00   0.03
     3   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.02   0.02    -0.04  -0.00   0.01     0.01   0.01   0.03
     9   6    -0.05   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00  -0.00
    10   6    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.01  -0.04   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1     0.36   0.08  -0.21     0.08   0.01  -0.04    -0.17  -0.07   0.09
    13   1     0.30  -0.03   0.29     0.06  -0.01   0.06    -0.14   0.04  -0.12
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.01     0.04  -0.02  -0.00
    15   1     0.03  -0.30  -0.21    -0.01  -0.08  -0.05    -0.03   0.30   0.21
    16   1     0.08  -0.26   0.22     0.03  -0.06   0.06    -0.09   0.26  -0.23
    17   1     0.15  -0.06  -0.14    -0.41  -0.08   0.01    -0.01  -0.07  -0.12
    18   1     0.11   0.28  -0.05     0.05  -0.14   0.20     0.11   0.18   0.03
    19   1    -0.13   0.10   0.13    -0.13   0.24  -0.17    -0.15   0.16   0.04
    20   1     0.17  -0.15  -0.10     0.03   0.04  -0.43     0.26  -0.22  -0.29
    21   1    -0.18  -0.18  -0.20     0.06  -0.12   0.31    -0.27  -0.28  -0.26
    22   1    -0.13   0.15   0.01     0.54   0.13  -0.08    -0.08   0.31  -0.00
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00    -0.01  -0.01   0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.00
    25   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.6894              1506.1397              1509.9659
 Red. masses --      1.1098                 1.0614                 1.0623
 Frc consts  --      1.4765                 1.4186                 1.4270
 IR Inten    --      3.0385                 7.3991                 5.0762
 RamAct Fr= 1--      7.3713                 3.8901                 2.0609
  Dep-P Fr= 1--      0.4509                 0.7500                 0.5614
  Dep-U Fr= 1--      0.6215                 0.8571                 0.7191
 Alpha2 Fr= 1--      0.0450                 0.0000                 0.0074
 Beta2  Fr= 1--      0.7636                 0.5557                 0.2470
 AlphaG Fr= 1--     -0.0025                 0.0002                -0.0016
 Gamma2 Fr= 1--     -0.3570                 0.6054                -0.0746
 Delta2 Fr= 1--     -0.4017                -0.9490                 0.2049
 Raman1 Fr= 1--      29.485                 15.560                  8.244
 ROA1   Fr= 1--     -47.126                 27.753                 -0.606
 CID1   Fr= 1--      -1.598                  1.784                 -0.073
 Raman2 Fr= 1--       9.163                  6.669                  2.964
 ROA2   Fr= 1--      -5.354                 22.122                 -3.429
 CID2   Fr= 1--      -0.584                  3.317                 -1.157
 Raman3 Fr= 1--      18.326                 13.337                  5.928
 ROA3   Fr= 1--     -47.126                 27.753                 -0.606
 CID3   Fr= 1--      -2.572                  2.081                 -0.102
 RC180  Fr= 1--       0.243                  0.714                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00    -0.00  -0.03   0.02    -0.04  -0.00  -0.00
     2   6    -0.02   0.04   0.00    -0.01  -0.03  -0.01    -0.03  -0.01   0.01
     3   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01  -0.00  -0.02    -0.02  -0.00   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.00    -0.00   0.02   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.37   0.11  -0.21     0.13   0.03  -0.07    -0.19  -0.06   0.11
    13   1     0.29  -0.03   0.30     0.11  -0.02   0.10    -0.15   0.03  -0.16
    14   1    -0.08   0.00  -0.00    -0.04   0.01  -0.00     0.01   0.00   0.00
    15   1    -0.01   0.30   0.20    -0.01   0.23   0.15     0.01  -0.12  -0.08
    16   1    -0.07   0.24  -0.23    -0.06   0.19  -0.17     0.04  -0.10   0.09
    17   1     0.15   0.12   0.15     0.15  -0.15  -0.30     0.50   0.10  -0.02
    18   1    -0.18  -0.21  -0.15     0.18   0.46  -0.06    -0.05   0.20  -0.25
    19   1     0.26  -0.30  -0.04    -0.25   0.24   0.16     0.13  -0.28   0.26
    20   1     0.05  -0.03  -0.15    -0.17   0.16   0.12     0.01   0.04  -0.33
    21   1    -0.03  -0.09   0.05     0.19   0.16   0.26     0.03  -0.10   0.21
    22   1     0.13   0.08  -0.02     0.17  -0.22  -0.01     0.37   0.12  -0.06
    23   1     0.00   0.00   0.01    -0.01  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1673.1414              1762.0774              3017.6675
 Red. masses --      6.5805                 8.5244                 1.0347
 Frc consts  --     10.8537                15.5942                 5.5513
 IR Inten    --    238.3854               113.5633                24.8922
 RamAct Fr= 1--    774.3498                23.7950                95.5371
  Dep-P Fr= 1--      0.2726                 0.7496                 0.0334
  Dep-U Fr= 1--      0.4285                 0.8569                 0.0645
 Alpha2 Fr= 1--      8.6060                 0.0002                 1.9632
 Beta2  Fr= 1--     55.2973                 3.3983                 1.0278
 AlphaG Fr= 1--     -1.7123                -0.0061                -0.2171
 Gamma2 Fr= 1--    -17.7743                 1.2338                -0.6816
 Delta2 Fr= 1--      3.8150                -0.3430                -1.4180
 Raman1 Fr= 1--    3097.399                 95.180                382.148
 ROA1   Fr= 1--   -1584.251                107.466               -110.815
 CID1   Fr= 1--      -0.511                  1.129                 -0.290
 Raman2 Fr= 1--     663.568                 40.780                 12.334
 ROA2   Fr= 1--    -457.103                 32.355                 -5.015
 CID2   Fr= 1--      -0.689                  0.793                 -0.407
 Raman3 Fr= 1--    1327.136                 81.559                 24.668
 ROA3   Fr= 1--   -1584.251                107.466               -110.815
 CID3   Fr= 1--      -1.194                  1.318                 -4.492
 RC180  Fr= 1--      -0.143                  0.714                 -0.871
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.02   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.01     0.04   0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.43   0.12  -0.12    -0.21  -0.06   0.07    -0.00   0.00   0.00
     5   6    -0.40  -0.11   0.10     0.21   0.07  -0.11    -0.00  -0.00   0.00
     6   6     0.09  -0.07   0.24     0.02  -0.20   0.57     0.00  -0.00   0.00
     7   8    -0.03   0.05  -0.16    -0.03   0.12  -0.36    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.04  -0.01
     9   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.01  -0.04    -0.00  -0.00  -0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.01   0.01   0.00     0.00  -0.00   0.01    -0.02  -0.01   0.02
    14   1     0.23   0.04   0.01    -0.10  -0.01  -0.02     0.00   0.01  -0.05
    15   1     0.01   0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.04   0.04  -0.03    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.02  -0.09   0.04
    18   1    -0.01   0.00  -0.03     0.00  -0.00   0.00    -0.11   0.05   0.05
    19   1     0.01  -0.01   0.01     0.00  -0.00   0.00     0.09   0.08   0.02
    20   1     0.01   0.00  -0.01    -0.00   0.00   0.00    -0.45  -0.36  -0.09
    21   1    -0.01  -0.03   0.01     0.00   0.00   0.00     0.49  -0.23  -0.23
    22   1    -0.00   0.02  -0.00     0.00  -0.00  -0.00     0.06   0.07   0.50
    23   1    -0.49  -0.03  -0.13     0.24   0.00   0.10    -0.00  -0.00  -0.00
    24   1     0.34  -0.00   0.17    -0.39  -0.01  -0.15     0.00   0.00  -0.00
    25   1     0.03   0.08  -0.05     0.04   0.13  -0.10    -0.00   0.00   0.00
    26   1    -0.06  -0.04   0.09    -0.13  -0.09   0.18     0.00  -0.00   0.00
    27   1     0.04  -0.02  -0.09     0.07  -0.02  -0.16    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.5202              3029.5725              3045.8029
 Red. masses --      1.0355                 1.0378                 1.0808
 Frc consts  --      5.5959                 5.6123                 5.9072
 IR Inten    --     24.5093                 3.0158                12.6816
 RamAct Fr= 1--    173.9228               203.8280                36.4867
  Dep-P Fr= 1--      0.0292                 0.0170                 0.3339
  Dep-U Fr= 1--      0.0567                 0.0335                 0.5006
 Alpha2 Fr= 1--      3.6094                 4.3526                 0.3372
 Beta2  Fr= 1--      1.6426                 1.1373                 3.0445
 AlphaG Fr= 1--     -0.4036                 0.4223                -0.0741
 Gamma2 Fr= 1--      2.1734                 0.3949                -3.9554
 Delta2 Fr= 1--      0.5449                -1.3121                -6.1264
 Raman1 Fr= 1--     695.691                815.312                145.947
 ROA1   Fr= 1--     226.085                 -4.080               -575.761
 CID1   Fr= 1--       0.325                 -0.005                 -3.945
 Raman2 Fr= 1--      19.712                 13.648                 36.534
 ROA2   Fr= 1--      47.802                 19.973                -45.918
 CID2   Fr= 1--       2.425                  1.463                 -1.257
 Raman3 Fr= 1--      39.423                 27.296                 73.068
 ROA3   Fr= 1--     226.085                 -4.080               -575.761
 CID3   Fr= 1--       5.735                 -0.149                 -7.880
 RC180  Fr= 1--      -0.887                 -0.933                  0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.05    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.02  -0.07
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.02   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00   0.00  -0.00    -0.02  -0.02   0.04    -0.00   0.00  -0.00
    12   1    -0.03   0.01  -0.05    -0.00   0.00  -0.00    -0.11   0.04  -0.22
    13   1    -0.04  -0.01   0.05    -0.00  -0.00   0.00    -0.15  -0.06   0.17
    14   1     0.00   0.02  -0.07     0.00   0.00  -0.00    -0.05  -0.25   0.88
    15   1     0.01  -0.02   0.04     0.00  -0.00   0.00    -0.04   0.08  -0.13
    16   1    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.09   0.44  -0.22    -0.00   0.01  -0.00    -0.01   0.02  -0.01
    18   1     0.51  -0.24  -0.23     0.01  -0.00  -0.00     0.02  -0.01  -0.01
    19   1    -0.43  -0.35  -0.11    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01
    20   1    -0.09  -0.07  -0.02    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
    21   1     0.09  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.03  -0.02
    22   1     0.01   0.01   0.11     0.00   0.00   0.00    -0.00  -0.00  -0.02
    23   1     0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00   0.01  -0.02
    25   1    -0.00   0.00   0.01     0.07  -0.37  -0.53    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.30  -0.02   0.21     0.00  -0.00   0.00
    27   1     0.00  -0.01   0.00    -0.11   0.62  -0.19     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.9667              3062.7875              3076.3744
 Red. masses --      1.0613                 1.0600                 1.1012
 Frc consts  --      5.8242                 5.8585                 6.1406
 IR Inten    --     47.2877                27.8421                15.1872
 RamAct Fr= 1--    217.8290               148.5567                49.6873
  Dep-P Fr= 1--      0.0792                 0.0635                 0.6734
  Dep-U Fr= 1--      0.1468                 0.1195                 0.8048
 Alpha2 Fr= 1--      4.0117                 2.8410                 0.0674
 Beta2  Fr= 1--      5.3292                 2.9588                 6.6651
 AlphaG Fr= 1--     -0.1180                 0.0787                -0.0063
 Gamma2 Fr= 1--      2.5674                 4.2857                 3.7910
 Delta2 Fr= 1--      1.2463                -7.4759                 2.0801
 Raman1 Fr= 1--     871.316                594.227                198.749
 ROA1   Fr= 1--     286.350                172.193                430.497
 CID1   Fr= 1--       0.329                  0.290                  2.166
 Raman2 Fr= 1--      63.951                 35.506                 79.981
 ROA2   Fr= 1--      51.647                162.663                 74.342
 CID2   Fr= 1--       0.808                  4.581                  0.930
 Raman3 Fr= 1--     127.902                 71.011                159.962
 ROA3   Fr= 1--     286.350                172.193                430.497
 CID3   Fr= 1--       2.239                  2.425                  2.691
 RC180  Fr= 1--      -0.706                 -0.761                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.00  -0.01  -0.00     0.02  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.09  -0.01   0.02
     9   6    -0.06  -0.00  -0.02     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00   0.01   0.01    -0.01   0.06  -0.02     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1     0.33  -0.12   0.61    -0.08   0.03  -0.15    -0.00   0.00  -0.01
    13   1     0.38   0.15  -0.43     0.00   0.00   0.00     0.02   0.01  -0.02
    14   1    -0.02  -0.09   0.31    -0.00  -0.02   0.07     0.00   0.01  -0.03
    15   1     0.00  -0.01   0.02     0.17  -0.38   0.66    -0.00   0.01  -0.01
    16   1    -0.00  -0.10  -0.12    -0.01  -0.35  -0.47     0.00   0.02   0.02
    17   1    -0.01   0.04  -0.02    -0.01   0.03  -0.02    -0.00   0.03  -0.02
    18   1     0.04  -0.02  -0.02    -0.06   0.02   0.03    -0.13   0.06   0.06
    19   1    -0.05  -0.04  -0.01     0.03   0.02   0.01    -0.11  -0.09  -0.03
    20   1    -0.05  -0.05  -0.01     0.01   0.01   0.00     0.50   0.43   0.11
    21   1     0.06  -0.03  -0.03     0.01  -0.00  -0.00     0.58  -0.29  -0.27
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.03  -0.01  -0.05
    23   1    -0.00   0.01  -0.02     0.00   0.01  -0.02     0.00  -0.00   0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3391              3085.2505              3087.8658
 Red. masses --      1.0984                 1.1017                 1.1013
 Frc consts  --      6.1447                 6.1789                 6.1872
 IR Inten    --      8.8081                23.9431                39.8047
 RamAct Fr= 1--     57.9246                46.8017                88.0069
  Dep-P Fr= 1--      0.7491                 0.6842                 0.7426
  Dep-U Fr= 1--      0.8565                 0.8125                 0.8523
 Alpha2 Fr= 1--      0.0009                 0.0542                 0.0110
 Beta2  Fr= 1--      8.2691                 6.3377                12.5015
 AlphaG Fr= 1--     -0.0149                -0.2478                 0.0092
 Gamma2 Fr= 1--      2.9751                13.7801                14.1002
 Delta2 Fr= 1--      3.4558                12.6946                 5.8871
 Raman1 Fr= 1--     231.698                187.207                352.027
 ROA1   Fr= 1--     396.192               1729.120               1542.010
 CID1   Fr= 1--       1.710                  9.236                  4.380
 Raman2 Fr= 1--      99.230                 76.053                150.018
 ROA2   Fr= 1--      43.755                229.166                291.309
 CID2   Fr= 1--       0.441                  3.013                  1.942
 Raman3 Fr= 1--     198.459                152.105                300.035
 ROA3   Fr= 1--     396.192               1729.120               1542.010
 CID3   Fr= 1--       1.996                 11.368                  5.139
 RC180  Fr= 1--       0.713                  0.625                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.09   0.01   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.04  -0.08    -0.02  -0.00   0.01
     9   6     0.00   0.00  -0.00    -0.01  -0.00   0.02     0.00   0.00  -0.01
    10   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    11   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.00   0.00    -0.05   0.02  -0.08     0.04  -0.01   0.06
    13   1    -0.00  -0.00   0.00     0.11   0.04  -0.12    -0.06  -0.02   0.06
    14   1     0.00   0.00  -0.00    -0.01  -0.02   0.07     0.00   0.00  -0.01
    15   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.05  -0.07
    17   1     0.00  -0.00   0.00     0.02  -0.08   0.04     0.03  -0.24   0.12
    18   1    -0.00   0.00   0.00     0.04  -0.02  -0.02     0.61  -0.29  -0.29
    19   1    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01     0.41   0.36   0.12
    20   1     0.00   0.00   0.00     0.30   0.25   0.04     0.11   0.09   0.02
    21   1     0.00  -0.00  -0.00    -0.26   0.12   0.10     0.14  -0.07  -0.06
    22   1    -0.00  -0.00  -0.01     0.11   0.09   0.82    -0.01  -0.00  -0.03
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00   0.01  -0.03
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.07   0.38   0.59    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1    -0.11   0.66  -0.22    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3094.3239              3095.4856              3114.5789
 Red. masses --      1.1064                 1.1019                 1.1077
 Frc consts  --      6.2413                 6.2208                 6.3310
 IR Inten    --     13.6079                39.4218                46.6982
 RamAct Fr= 1--    116.1498                30.8765                88.0360
  Dep-P Fr= 1--      0.6013                 0.4087                 0.5936
  Dep-U Fr= 1--      0.7510                 0.5802                 0.7450
 Alpha2 Fr= 1--      0.3196                 0.2217                 0.2560
 Beta2  Fr= 1--     14.5381                 2.9858                10.9308
 AlphaG Fr= 1--      0.0643                 0.4825                 0.1238
 Gamma2 Fr= 1--    -38.9050                23.5752                -4.8172
 Delta2 Fr= 1--    -23.4314                20.8886                -7.5566
 Raman1 Fr= 1--     464.599                123.506                352.144
 ROA1   Fr= 1--   -4484.684               2931.652               -704.268
 CID1   Fr= 1--      -9.653                 23.737                 -2.000
 Raman2 Fr= 1--     174.457                 35.830                131.169
 ROA2   Fr= 1--    -746.268                398.696                -55.161
 CID2   Fr= 1--      -4.278                 11.127                 -0.421
 Raman3 Fr= 1--     348.913                 71.660                262.339
 ROA3   Fr= 1--   -4484.684               2931.652               -704.268
 CID3   Fr= 1--     -12.853                 40.911                 -2.685
 RC180  Fr= 1--       0.502                  0.160                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.01    -0.02  -0.08   0.01     0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.02  -0.07    -0.01  -0.01   0.03     0.00   0.01  -0.04
    10   6     0.00   0.01   0.03    -0.00  -0.01  -0.02    -0.01  -0.01  -0.08
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.24  -0.08   0.42    -0.09   0.03  -0.16     0.16  -0.05   0.28
    13   1    -0.41  -0.16   0.44     0.18   0.07  -0.20    -0.19  -0.07   0.20
    14   1     0.00   0.01  -0.04    -0.00  -0.01   0.04    -0.01  -0.03   0.11
    15   1    -0.03   0.08  -0.12     0.02  -0.05   0.07     0.13  -0.30   0.47
    16   1    -0.00  -0.20  -0.25     0.00   0.17   0.22     0.00   0.42   0.52
    17   1    -0.07   0.32  -0.17    -0.13   0.62  -0.32     0.02  -0.09   0.05
    18   1    -0.13   0.05   0.07    -0.06   0.01   0.03     0.02  -0.00  -0.01
    19   1     0.14   0.10   0.04     0.41   0.32   0.11    -0.04  -0.03  -0.01
    20   1     0.07   0.06   0.01     0.02   0.02   0.00     0.01   0.01   0.00
    21   1    -0.05   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.00   0.00
    22   1     0.02   0.02   0.18     0.00   0.00   0.01     0.01   0.00   0.06
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3143.8407              3145.4835              3150.5968
 Red. masses --      1.0910                 1.1000                 1.0863
 Frc consts  --      6.3533                 6.4126                 6.3529
 IR Inten    --      0.4467                13.4028                15.0975
 RamAct Fr= 1--     88.3338                84.2900                 7.8716
  Dep-P Fr= 1--      0.1563                 0.6796                 0.6832
  Dep-U Fr= 1--      0.2703                 0.8092                 0.8118
 Alpha2 Fr= 1--      1.3438                 0.1047                 0.0093
 Beta2  Fr= 1--      3.9801                11.3685                 1.0650
 AlphaG Fr= 1--      0.1253                -0.0823                 0.0416
 Gamma2 Fr= 1--     -5.6020                -0.6844                 2.0398
 Delta2 Fr= 1--     -4.3985                -1.4271                 1.1428
 Raman1 Fr= 1--     353.335                337.160                 31.486
 ROA1   Fr= 1--    -678.542               -111.370                232.396
 CID1   Fr= 1--      -1.920                 -0.330                  7.381
 Raman2 Fr= 1--      47.761                136.422                 12.780
 ROA2   Fr= 1--     -99.260                 -5.008                 39.813
 CID2   Fr= 1--      -2.078                 -0.037                  3.115
 Raman3 Fr= 1--      95.522                272.844                 25.560
 ROA3   Fr= 1--    -678.542               -111.370                232.396
 CID3   Fr= 1--      -7.104                 -0.408                  9.092
 RC180  Fr= 1--      -0.459                  0.618                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.02  -0.06     0.00  -0.01   0.02    -0.01   0.02  -0.05
     5   6    -0.00  -0.02   0.05     0.00   0.00  -0.00    -0.00   0.02  -0.06
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.02   0.00  -0.01    -0.06   0.01  -0.06    -0.01   0.00  -0.01
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.01  -0.00   0.01
    14   1    -0.00  -0.01   0.03     0.00   0.01  -0.02     0.00  -0.02   0.06
    15   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.00  -0.01   0.02
    16   1     0.00   0.01   0.01    -0.00  -0.00  -0.01     0.00   0.01   0.01
    17   1     0.01  -0.03   0.01    -0.00   0.01  -0.01     0.01  -0.03   0.01
    18   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    23   1     0.04  -0.23   0.66    -0.02   0.09  -0.26     0.04  -0.21   0.61
    24   1    -0.01   0.22  -0.62     0.00  -0.02   0.05     0.01  -0.25   0.70
    25   1    -0.01   0.03   0.04    -0.04   0.14   0.19    -0.01   0.03   0.04
    26   1     0.19  -0.01   0.12     0.74  -0.04   0.49     0.11  -0.01   0.07
    27   1     0.01  -0.05   0.01     0.03  -0.23   0.06     0.01  -0.04   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   821.588273645.118703714.03991
           X            0.99986   0.00243  -0.01626
           Y           -0.00317   0.99895  -0.04580
           Z            0.01613   0.04585   0.99882
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10542     0.02376     0.02332
 Rotational constants (GHZ):           2.19665     0.49511     0.48592
 Zero-point vibrational energy     621694.5 (Joules/Mol)
                                  148.58856 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     46.20    91.33   113.17   166.20   192.95
          (Kelvin)            225.55   318.18   353.10   378.33   412.30
                              459.17   495.94   525.96   593.22   635.60
                              739.71   842.68   856.05   907.38  1049.83
                             1152.05  1228.23  1267.39  1301.71  1317.58
                             1367.47  1379.71  1392.47  1396.44  1445.41
                             1471.57  1482.52  1514.15  1578.94  1662.96
                             1702.85  1706.83  1751.08  1772.96  1794.09
                             1817.22  1841.90  1863.77  1894.84  1925.96
                             1988.18  2012.63  2023.04  2046.77  2107.61
                             2121.22  2134.16  2138.88  2147.62  2162.03
                             2167.00  2172.50  2407.28  2535.24  4341.75
                             4357.37  4358.88  4382.23  4391.10  4406.67
                             4426.22  4433.36  4438.99  4442.75  4452.04
                             4453.71  4481.18  4523.29  4525.65  4533.01
 
 Zero-point correction=                           0.236791 (Hartree/Particle)
 Thermal correction to Energy=                    0.249346
 Thermal correction to Enthalpy=                  0.250290
 Thermal correction to Gibbs Free Energy=         0.197559
 Sum of electronic and zero-point Energies=           -465.874862
 Sum of electronic and thermal Energies=              -465.862307
 Sum of electronic and thermal Enthalpies=            -465.861363
 Sum of electronic and thermal Free Energies=         -465.914094
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.467             46.457            110.982
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.787
 Vibrational            154.689             40.495             39.227
 Vibration     1          0.594              1.983              5.694
 Vibration     2          0.597              1.972              4.346
 Vibration     3          0.600              1.964              3.924
 Vibration     4          0.608              1.937              3.174
 Vibration     5          0.613              1.919              2.886
 Vibration     6          0.620              1.895              2.588
 Vibration     7          0.648              1.809              1.950
 Vibration     8          0.660              1.770              1.763
 Vibration     9          0.670              1.741              1.642
 Vibration    10          0.684              1.699              1.494
 Vibration    11          0.705              1.637              1.315
 Vibration    12          0.723              1.586              1.190
 Vibration    13          0.739              1.543              1.098
 Vibration    14          0.776              1.444              0.918
 Vibration    15          0.802              1.379              0.821
 Vibration    16          0.869              1.219              0.624
 Vibration    17          0.943              1.062              0.475
 Vibration    18          0.953              1.042              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.134727D-90        -90.870544       -209.237160
 Total V=0       0.111078D+19         18.045629         41.551596
 Vib (Bot)       0.153028-104       -104.815230       -241.345986
 Vib (Bot)    1  0.644648D+01          0.809323          1.863535
 Vib (Bot)    2  0.325172D+01          0.512113          1.179185
 Vib (Bot)    3  0.261872D+01          0.418089          0.962685
 Vib (Bot)    4  0.177089D+01          0.248191          0.571482
 Vib (Bot)    5  0.151855D+01          0.181428          0.417753
 Vib (Bot)    6  0.129086D+01          0.110880          0.255311
 Vib (Bot)    7  0.894019D+00         -0.048653         -0.112028
 Vib (Bot)    8  0.796983D+00         -0.098551         -0.226921
 Vib (Bot)    9  0.737573D+00         -0.132195         -0.304390
 Vib (Bot)   10  0.668573D+00         -0.174851         -0.402610
 Vib (Bot)   11  0.589331D+00         -0.229641         -0.528768
 Vib (Bot)   12  0.537080D+00         -0.269961         -0.621607
 Vib (Bot)   13  0.499530D+00         -0.301439         -0.694088
 Vib (Bot)   14  0.428356D+00         -0.368195         -0.847801
 Vib (Bot)   15  0.390773D+00         -0.408075         -0.939628
 Vib (Bot)   16  0.315645D+00         -0.500801         -1.153136
 Vib (Bot)   17  0.258691D+00         -0.587219         -1.352122
 Vib (Bot)   18  0.252257D+00         -0.598157         -1.377308
 Vib (V=0)       0.126166D+05          4.100943          9.442771
 Vib (V=0)    1  0.696585D+01          0.842974          1.941019
 Vib (V=0)    2  0.378994D+01          0.578632          1.332350
 Vib (V=0)    3  0.316602D+01          0.500514          1.152476
 Vib (V=0)    4  0.234012D+01          0.369239          0.850203
 Vib (V=0)    5  0.209874D+01          0.321959          0.741339
 Vib (V=0)    6  0.188431D+01          0.275153          0.633564
 Vib (V=0)    7  0.152434D+01          0.183082          0.421561
 Vib (V=0)    8  0.144084D+01          0.158616          0.365227
 Vib (V=0)    9  0.139107D+01          0.143350          0.330077
 Vib (V=0)   10  0.133486D+01          0.125435          0.288826
 Vib (V=0)   11  0.127286D+01          0.104780          0.241265
 Vib (V=0)   12  0.123380D+01          0.091243          0.210095
 Vib (V=0)   13  0.120677D+01          0.081626          0.187951
 Vib (V=0)   14  0.115840D+01          0.063858          0.147039
 Vib (V=0)   15  0.113459D+01          0.054839          0.126271
 Vib (V=0)   16  0.109130D+01          0.037943          0.087367
 Vib (V=0)   17  0.106296D+01          0.026516          0.061055
 Vib (V=0)   18  0.106003D+01          0.025318          0.058297
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119386D+07          6.076952         13.992699
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003486    0.000001958   -0.000016473
      2        6           0.000010401   -0.000007725    0.000028096
      3        6           0.000014260   -0.000035651    0.000017460
      4        6          -0.000017283    0.000008939    0.000004838
      5        6           0.000012087    0.000001995   -0.000005767
      6        6          -0.000006241    0.000000059   -0.000008061
      7        8           0.000000154    0.000000351    0.000005262
      8        6          -0.000000530    0.000016057   -0.000015160
      9        6           0.000005681   -0.000000596   -0.000016399
     10        6          -0.000001360    0.000035210   -0.000013940
     11        6          -0.000003918    0.000002344   -0.000001519
     12        1          -0.000004948   -0.000003735    0.000004686
     13        1           0.000005182   -0.000002791    0.000002496
     14        1          -0.000009704    0.000003417   -0.000004845
     15        1          -0.000007296   -0.000005340    0.000005557
     16        1           0.000005564   -0.000002597    0.000003092
     17        1           0.000000698    0.000000579    0.000001088
     18        1           0.000000703   -0.000000834   -0.000000093
     19        1          -0.000001718    0.000000763    0.000002089
     20        1          -0.000001668   -0.000006512   -0.000001153
     21        1           0.000002785   -0.000003516   -0.000000233
     22        1          -0.000001286   -0.000003034    0.000001345
     23        1           0.000001222    0.000003928   -0.000000631
     24        1           0.000000197   -0.000003374    0.000002626
     25        1           0.000000049    0.000000284    0.000003150
     26        1          -0.000000404    0.000001126   -0.000000041
     27        1           0.000000859   -0.000001304    0.000002529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035651 RMS     0.000008976
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169801D+03  0.572621D+01 -0.260130D+01
      2   0.572621D+01  0.107820D+03 -0.289978D+01
      3  -0.260130D+01 -0.289978D+01  0.112209D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.488186D+01 -0.660937D+01 -0.711437D+01
      2   0.325079D+02 -0.111366D+02 -0.550098D+01
      3  -0.246746D+02  0.389779D+02  0.149890D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.864186D+02  0.260184D+02 -0.168391D+01
      2  -0.702606D+02  0.616923D-01  0.282482D+01
      3  -0.161580D+02 -0.260801D+02 -0.114091D+01
      4   0.339426D+02 -0.927598D+02 -0.331063D+02
      5  -0.233351D+02 -0.325520D+02 -0.961761D+01
      6  -0.151091D+02 -0.258879D+02  0.105862D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341908D+01 -0.427548D+01 -0.403881D+01 -0.462110D+01 -0.160091D+01
      2  -0.427548D+01 -0.178628D+01  0.791337D+00 -0.160091D+01  0.164886D+01
      3  -0.403881D+01  0.791337D+00  0.138683D+01  0.104412D+01 -0.369068D+01
                 6             7             8             9            10 
      1   0.104412D+01 -0.317635D+01  0.109661D+01  0.133112D+01 -0.222230D+02
      2  -0.369068D+01  0.109661D+01 -0.314923D+01  0.560647D+00  0.655385D+01
      3   0.901731D+00  0.133112D+01  0.560647D+00  0.310335D+01  0.339791D+01
                11            12            13            14            15 
      1   0.655385D+01  0.339791D+01  0.103754D+02 -0.711931D+00 -0.129197D+01
      2   0.158718D+01 -0.565743D+00 -0.711931D+00  0.983951D+00  0.289685D+01
      3  -0.565743D+00 -0.154322D+01 -0.129197D+01  0.289685D+01 -0.606471D-01
                16            17            18            19            20 
      1   0.135480D+02 -0.172411D+01 -0.233473D+01  0.477102D+02  0.144369D+00
      2  -0.172411D+01  0.359212D+01  0.495617D+00  0.144369D+00  0.398715D+01
      3  -0.233473D+01  0.495617D+00 -0.438031D+01 -0.429467D+00  0.110680D+01
                21            22            23            24            25 
      1  -0.429467D+00 -0.397749D+01  0.911943D+01  0.294514D+01 -0.349695D+01
      2   0.110680D+01  0.911943D+01  0.135321D+01 -0.560194D+00  0.236945D+01
      3   0.531296D+00  0.294514D+01 -0.560194D+00 -0.272500D+01  0.105827D+01
                26            27            28            29            30 
      1   0.236945D+01  0.105827D+01 -0.656309D+02 -0.363660D+01  0.448924D-01
      2  -0.796629D+00 -0.235664D+01 -0.363660D+01 -0.309381D+01 -0.589293D+00
      3  -0.235664D+01  0.487251D+01  0.448924D-01 -0.589293D+00 -0.169603D+01
                31            32            33            34            35 
      1  -0.110261D+02 -0.659742D+01 -0.195840D+01  0.922679D+01 -0.353131D+00
      2  -0.659742D+01 -0.329187D+01 -0.242316D+00 -0.353131D+00  0.361167D+00
      3  -0.195840D+01 -0.242316D+00  0.151574D+01 -0.238313D+01  0.169634D+01
                36            37            38            39            40 
      1  -0.238313D+01  0.596474D+02  0.337843D+01  0.304562D+01  0.128010D+02
      2   0.169634D+01  0.337843D+01  0.169357D+01  0.758888D+00  0.525231D+01
      3  -0.322478D+01  0.304562D+01  0.758888D+00  0.129855D+01  0.140901D+01
                41            42            43            44            45 
      1   0.525231D+01  0.140901D+01 -0.118408D+02 -0.454382D+00  0.399693D+01
      2   0.270843D+01 -0.696720D+00 -0.454382D+00 -0.122295D+01 -0.180906D+01
      3  -0.696720D+00 -0.198981D+01  0.399693D+01 -0.180906D+01  0.249605D+01
                46            47            48            49            50 
      1  -0.195476D+02 -0.748305D+00 -0.365505D+01  0.604766D+01  0.454456D+00
      2  -0.748305D+00  0.866196D+00  0.758867D-02  0.454456D+00  0.729493D+00
      3  -0.365505D+01  0.758867D-02  0.579571D+00  0.300331D+01 -0.907986D+00
                51            52            53            54            55 
      1   0.300331D+01 -0.263875D+02  0.972540D+00 -0.869713D+01  0.575468D+01
      2  -0.907986D+00  0.972540D+00  0.663795D-01  0.105773D+01 -0.744928D+00
      3   0.180010D+01 -0.869713D+01  0.105773D+01 -0.611220D+01  0.285360D+01
                56            57            58            59            60 
      1  -0.744928D+00  0.285360D+01 -0.891691D+01  0.198692D+01 -0.292112D+01
      2   0.372700D+00 -0.424497D+00  0.198692D+01 -0.204418D+01  0.291239D+01
      3  -0.424497D+00  0.111965D+01 -0.292112D+01  0.291239D+01 -0.181456D+01
                61            62            63            64            65 
      1   0.261025D+02 -0.506923D+00  0.995393D+01  0.687566D+01 -0.534427D+01
      2  -0.506923D+00  0.161862D+01 -0.142451D+01 -0.534427D+01 -0.148975D+01
      3   0.995393D+01 -0.142451D+01  0.111204D+02 -0.191470D+01  0.950657D+00
                66            67            68            69            70 
      1  -0.191470D+01 -0.550460D+01 -0.113193D+01  0.117679D+01 -0.498544D+01
      2   0.950657D+00 -0.113193D+01 -0.434498D+00 -0.252625D+01  0.143725D+01
      3   0.126899D+01  0.117679D+01 -0.252625D+01  0.110030D+01  0.165360D+01
                71            72            73            74            75 
      1   0.143725D+01  0.165360D+01  0.459768D+00  0.866278D+00 -0.104777D+01
      2  -0.280142D+01  0.123038D+00  0.866278D+00 -0.376424D+01 -0.177096D+01
      3   0.123038D+00  0.631945D+01 -0.104777D+01 -0.177096D+01  0.294220D+01
                76            77            78            79            80 
      1   0.157241D+01 -0.448072D+01 -0.264152D+01 -0.191934D+01 -0.249193D+01
      2  -0.448072D+01 -0.281383D+01 -0.111495D+01 -0.249193D+01 -0.144949D+01
      3  -0.264152D+01 -0.111495D+01 -0.601997D+00  0.435150D+01 -0.217192D+00
                81            82            83            84            85 
      1   0.435150D+01 -0.923515D+01 -0.698806D+01 -0.117937D+01 -0.821167D+01
      2  -0.217192D+00 -0.698806D+01 -0.193076D+01  0.901442D+00 -0.392721D+01
      3   0.213697D+01 -0.117937D+01  0.901442D+00 -0.537241D+00  0.507413D+00
                86            87            88            89            90 
      1  -0.392721D+01  0.507413D+00  0.561231D+01  0.202509D+01 -0.201244D+00
      2   0.112922D+01  0.106908D+01  0.202509D+01  0.216580D+01  0.447965D+01
      3   0.106908D+01  0.333753D+01 -0.201244D+00  0.447965D+01 -0.525578D+00
                91            92            93            94            95 
      1  -0.174758D+01  0.141419D+01 -0.445365D+01  0.257900D+01 -0.336926D+00
      2   0.141419D+01  0.100556D+01 -0.992539D+00 -0.336926D+00 -0.419634D+01
      3  -0.445365D+01 -0.992539D+00 -0.116407D+01 -0.891795D+00  0.337130D+01
                96            97            98            99           100 
      1  -0.891795D+00 -0.731141D+01 -0.902746D+00 -0.335716D+01 -0.454506D+01
      2   0.337130D+01 -0.902746D+00  0.263619D+01  0.103043D+01 -0.197004D+00
      3   0.154175D+01 -0.335716D+01  0.103043D+01  0.404016D+01 -0.243518D+01
               101           102           103           104           105 
      1  -0.197004D+00 -0.243518D+01  0.724957D+00 -0.471714D+00  0.695837D+00
      2  -0.463543D+00  0.124119D+00 -0.471714D+00  0.515118D+00 -0.629688D+00
      3   0.124119D+00 -0.239170D+01  0.695837D+00 -0.629688D+00  0.652495D+00
               106           107           108           109           110 
      1  -0.422084D+01  0.234522D+00 -0.396199D+01 -0.729528D+01 -0.187540D+01
      2   0.234522D+00 -0.139230D+01 -0.116323D+00 -0.187540D+01 -0.106049D+01
      3  -0.396199D+01 -0.116323D+00 -0.504941D+01  0.246232D+01  0.749061D+00
               111           112           113           114           115 
      1   0.246232D+01 -0.161333D+01 -0.132631D+01  0.857730D+00  0.510949D+01
      2   0.749061D+00 -0.132631D+01 -0.108490D+01  0.832261D+00  0.149959D+01
      3  -0.209153D+01  0.857730D+00  0.832261D+00 -0.537481D+00 -0.335659D+01
               116           117           118           119           120 
      1   0.149959D+01 -0.335659D+01  0.408777D+00  0.438678D+00 -0.864795D+00
      2   0.158131D+01 -0.792922D+00  0.438678D+00 -0.279239D+00 -0.210253D+00
      3  -0.792922D+00  0.257531D+01 -0.864795D+00 -0.210253D+00  0.342448D+00
               121           122           123           124           125 
      1   0.158995D+01 -0.629164D+00 -0.785328D-01 -0.125191D+01 -0.225398D-01
      2  -0.629164D+00  0.614611D+00 -0.982634D+00 -0.225398D-01 -0.147991D+01
      3  -0.785328D-01 -0.982634D+00  0.140672D+01 -0.224195D+00  0.912510D+00
               126           127           128           129           130 
      1  -0.224195D+00  0.865452D+00 -0.884925D-01  0.677492D+00  0.196757D+00
      2   0.912510D+00 -0.884925D-01  0.119401D+01 -0.533611D+00  0.396237D+00
      3  -0.676662D+01  0.677492D+00 -0.533611D+00  0.620721D+00 -0.244955D+00
               131           132           133           134           135 
      1   0.396237D+00 -0.244955D+00  0.130853D+01 -0.242574D+00  0.135865D+00
      2  -0.413295D+01  0.171388D+01 -0.242574D+00  0.336763D+01 -0.269147D+01
      3   0.171388D+01 -0.189135D+01  0.135865D+00 -0.269147D+01  0.337913D+01
               136           137           138           139           140 
      1   0.129923D+01 -0.354819D+00 -0.582604D+00  0.991661D+00 -0.683550D+00
      2  -0.354819D+00  0.296156D+00 -0.335327D-01 -0.683550D+00 -0.633760D+01
      3  -0.582604D+00 -0.335327D-01  0.987677D-01 -0.448009D+00 -0.310873D+01
               141           142           143           144           145 
      1  -0.448009D+00 -0.235067D+01 -0.120500D+01 -0.674138D+00  0.488101D+00
      2  -0.310873D+01 -0.120500D+01 -0.512199D+01 -0.405700D+01 -0.352303D+00
      3  -0.253877D+01 -0.674138D+00 -0.405700D+01 -0.389409D+01  0.869818D+00
               146           147           148           149           150 
      1  -0.352303D+00  0.869818D+00 -0.702152D+00  0.584805D+00 -0.767482D-01
      2   0.625743D+00 -0.302217D+00  0.584805D+00 -0.409823D+01  0.231767D+01
      3  -0.302217D+00  0.465526D+00 -0.767482D-01  0.231767D+01 -0.345114D+01
               151           152           153           154           155 
      1   0.735875D+00 -0.241202D+00  0.110557D+00 -0.642109D+01  0.241477D+01
      2  -0.241202D+00  0.198729D+01 -0.186270D+01  0.241477D+01 -0.170953D+01
      3   0.110557D+00 -0.186270D+01  0.271266D+01  0.363689D+01 -0.140783D+01
               156           157           158           159           160 
      1   0.363689D+01  0.201779D+01 -0.145198D+01 -0.126687D+01  0.179565D+01
      2  -0.140783D+01 -0.145198D+01  0.155120D+01  0.160010D+01 -0.917546D+00
      3  -0.360131D+01 -0.126687D+01  0.160010D+01  0.150772D+01 -0.232188D+01
               161           162           163           164           165 
      1  -0.917546D+00 -0.232188D+01  0.347378D+01  0.188921D+01  0.127489D+01
      2   0.101930D+01  0.103707D+01  0.188921D+01  0.242110D+01  0.115809D+01
      3   0.103707D+01  0.250357D+01  0.127489D+01  0.115809D+01  0.207302D+01
               166           167           168           169           170 
      1   0.167009D+01  0.155055D+01  0.619313D+00  0.413685D+00  0.447978D+00
      2   0.155055D+01  0.286680D+01  0.178416D+01  0.447978D+00  0.938433D+00
      3   0.619313D+00  0.178416D+01  0.176301D+01  0.808521D+00  0.869580D+00
               171           172           173           174           175 
      1   0.808521D+00  0.239350D+01  0.216676D+01  0.395598D+00  0.174074D+01
      2   0.869580D+00  0.216676D+01  0.422526D+01 -0.177682D+00  0.170345D+01
      3   0.113227D+01  0.395598D+00 -0.177682D+00  0.908047D+00  0.787150D-02
               176           177           178           179           180 
      1   0.170345D+01  0.787150D-02  0.741208D+00 -0.574007D-01  0.276502D+00
      2   0.518961D+01  0.230829D+00 -0.574007D-01  0.112912D+01  0.740563D+00
      3   0.230829D+00  0.679762D+00  0.276502D+00  0.740563D+00 -0.224183D+00
               181           182           183           184           185 
      1  -0.734546D+01  0.436146D+01  0.113806D+01  0.196093D+01 -0.255372D+01
      2   0.436146D+01 -0.332297D+01 -0.514835D+00 -0.255372D+01  0.305540D+01
      3   0.113806D+01 -0.514835D+00 -0.144823D+01 -0.654236D+00  0.722961D+00
               186           187           188           189           190 
      1  -0.654236D+00  0.309885D+01 -0.156511D+01 -0.139294D+01 -0.123085D+01
      2   0.722961D+00 -0.156511D+01  0.201370D+01  0.812224D+00  0.736794D+00
      3   0.486035D+00 -0.139294D+01  0.812224D+00  0.588320D+00 -0.932123D+00
               191           192           193           194           195 
      1   0.736794D+00 -0.932123D+00  0.234440D+00  0.654882D-01 -0.150773D+00
      2  -0.769455D-01  0.664613D-01  0.654882D-01 -0.234284D+00 -0.594411D+00
      3   0.664613D-01 -0.997357D+00 -0.150773D+00 -0.594411D+00 -0.503811D+00
               196           197           198           199           200 
      1  -0.140056D+01  0.438311D+00 -0.187202D+01 -0.173217D+01 -0.496123D+00
      2   0.438311D+00 -0.167755D+01  0.120905D+01 -0.496123D+00  0.181467D-01
      3  -0.187202D+01  0.120905D+01 -0.804025D+01  0.803934D+00 -0.760434D-01
               201           202           203           204           205 
      1   0.803934D+00 -0.137236D+01  0.977198D+00  0.389214D+00  0.201771D+01
      2  -0.760434D-01  0.977198D+00 -0.754171D+00  0.110785D+01  0.548919D+00
      3   0.327178D-01  0.389214D+00  0.110785D+01 -0.127507D+01 -0.454693D+00
               206           207           208           209           210 
      1   0.548919D+00 -0.454693D+00  0.140603D+01  0.663755D+00 -0.113209D+01
      2   0.141887D+01 -0.126690D+01  0.663755D+00  0.553203D-01 -0.530019D-01
      3  -0.126690D+01  0.466174D+01 -0.113209D+01 -0.530019D-01 -0.276466D+00
               211           212           213           214           215 
      1   0.100550D+01 -0.262405D+00 -0.750102D+00 -0.185094D+01 -0.592043D+00
      2  -0.262405D+00  0.596171D+00 -0.924071D+00 -0.592043D+00 -0.135149D+01
      3  -0.750102D+00 -0.924071D+00  0.189604D+01  0.949606D+00  0.176818D+01
               216           217           218           219           220 
      1   0.949606D+00  0.255917D+01 -0.759792D+00 -0.556854D+00 -0.232872D+01
      2   0.176818D+01 -0.759792D+00  0.198129D+00  0.464879D+00  0.105498D+01
      3  -0.627738D+01 -0.556854D+00  0.464879D+00  0.736975D+00  0.140552D+01
               221           222           223           224           225 
      1   0.105498D+01  0.140552D+01 -0.347975D+01  0.270669D+00  0.323362D+01
      2  -0.139058D+01 -0.209760D+01  0.270669D+00 -0.212511D+01 -0.163810D+01
      3  -0.209760D+01 -0.283387D+01  0.323362D+01 -0.163810D+01 -0.653929D+01
               226           227           228           229           230 
      1   0.926225D+01  0.236702D+00  0.219615D+01 -0.573571D+00  0.110231D+01
      2   0.236702D+00  0.107727D+01  0.175599D+00  0.110231D+01  0.339083D+00
      3   0.219615D+01  0.175599D+00  0.161524D+01  0.109868D+00  0.981279D-01
               231           232           233           234           235 
      1   0.109868D+00  0.500027D+01  0.387041D+00  0.204829D+01  0.931000D+00
      2   0.981279D-01  0.387041D+00  0.651115D+00 -0.570478D-01  0.596330D+00
      3  -0.276634D+00  0.204829D+01 -0.570478D-01  0.155022D+01  0.425290D+00
               236           237           238           239           240 
      1   0.596330D+00  0.425290D+00  0.333977D+01  0.191776D+01 -0.796105D+00
      2  -0.645936D+00  0.397113D+00  0.191776D+01  0.753226D+01 -0.258122D+01
      3   0.397113D+00 -0.273401D+00 -0.796105D+00 -0.258122D+01  0.191121D+01
               241           242           243 
      1  -0.103842D+01 -0.451329D+00  0.132353D+01
      2  -0.451329D+00 -0.197899D+01  0.149723D+01
      3   0.132353D+01  0.149723D+01 -0.215800D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.562432D+01 -0.439155D+01  0.899909D+00 -0.365987D+01  0.669202D+01
      2   0.627721D+01  0.753811D+01  0.847945D+01  0.613206D+01  0.115195D+02
      3  -0.800620D+01 -0.892416D+01 -0.162171D+01 -0.428797D+01  0.139480D+01
                 6             7             8             9            10 
      1  -0.123525D+02 -0.867114D-01 -0.569986D+01  0.623231D+00 -0.191792D+01
      2  -0.377398D+01  0.145041D+01 -0.232702D+01 -0.794558D+01 -0.195017D+02
      3  -0.606873D+01 -0.296219D+00 -0.580416D+01  0.184077D+01  0.161041D+02
                11            12            13            14            15 
      1   0.233289D+01  0.943128D+00  0.413384D+01 -0.482835D+01 -0.360778D+01
      2   0.154927D+01  0.752737D+01  0.329345D+01 -0.935941D+01 -0.604286D+00
      3   0.418047D+01  0.230852D+01  0.140176D+02  0.637885D+01  0.645367D+01
                16            17            18            19            20 
      1   0.221686D+01  0.676062D+01  0.324101D+01 -0.835575D-01 -0.145850D+01
      2   0.773694D+01 -0.113364D+01  0.961572D+01  0.267628D+02  0.964273D+00
      3  -0.447050D+01  0.678452D+01 -0.390455D-01 -0.219606D+02 -0.639749D+01
                21            22            23            24            25 
      1  -0.102018D+01 -0.776917D+01 -0.266319D+01 -0.286766D+01 -0.296509D+01
      2   0.247404D+01 -0.227152D+01  0.651265D+01  0.459128D+01 -0.147212D+02
      3  -0.630503D+00  0.259865D+01 -0.674204D+01 -0.185476D+01  0.806873D-01
                26            27            28            29            30 
      1   0.190353D+01  0.471533D+01  0.399058D+01 -0.558532D+00 -0.434851D-01
      2   0.315274D+01 -0.313746D+01 -0.369723D+02 -0.366842D+01 -0.375200D+01
      3  -0.295996D+01 -0.172184D+01  0.193497D+02  0.647214D+01  0.104692D+01
                31            32            33            34            35 
      1   0.400747D+01  0.262142D+01 -0.248944D+01  0.229848D+01  0.182080D+00
      2  -0.126724D+02 -0.391070D+01 -0.115798D+01 -0.135790D+02 -0.171687D+01
      3   0.345659D+02  0.693613D+01 -0.912075D-01  0.261732D+01  0.132216D+01
                36            37            38            39            40 
      1  -0.402172D+01 -0.287862D+01 -0.737398D+00 -0.619252D+00 -0.748449D+01
      2  -0.129393D+01  0.441462D+02  0.316870D+01  0.124625D+02  0.137707D+02
      3   0.120309D+00 -0.159310D+02 -0.105551D+02 -0.141281D+01 -0.814837D+01
                41            42            43            44            45 
      1  -0.416109D+00 -0.479256D+01  0.174650D+01 -0.162473D+00 -0.957283D+00
      2   0.277769D+01 -0.156578D+01 -0.130633D+02 -0.368171D+01  0.594339D+01
      3  -0.603668D+01  0.786465D+00 -0.348214D+00 -0.120785D+01  0.124193D+01
                46            47            48            49            50 
      1   0.202355D+00  0.198248D+01  0.244707D+01 -0.615411D+01  0.408274D+01
      2  -0.127397D+02 -0.321578D+01 -0.416111D+01  0.627073D+01 -0.253937D+01
      3   0.772924D+00  0.116570D+02  0.498086D+01  0.234279D+02  0.909354D+00
                51            52            53            54            55 
      1  -0.713324D+01  0.220963D+01 -0.389903D+01 -0.278184D+01  0.122917D+01
      2   0.719956D+01 -0.497179D+02  0.110559D+01 -0.284243D+02  0.245485D+01
      3   0.246365D+01  0.498669D+01  0.871854D+01 -0.208514D+01  0.952917D-01
                56            57            58            59            60 
      1  -0.312976D+00 -0.454470D+00  0.101774D+00 -0.290393D+01 -0.170269D+01
      2  -0.109758D+01  0.734799D+01 -0.911145D+01  0.886850D+01 -0.913516D+01
      3  -0.733766D+01 -0.320625D-01 -0.676666D+01  0.672702D+01 -0.802210D+01
                61            62            63            64            65 
      1  -0.142800D+01  0.894111D+01  0.689300D+00  0.805279D+01 -0.156672D+01
      2   0.299424D+02 -0.465005D+01  0.442736D+02  0.862266D+01 -0.631426D+01
      3  -0.442442D+01 -0.127135D+02  0.340767D+01 -0.987353D+01 -0.192606D+02
                66            67            68            69            70 
      1  -0.383774D+01 -0.178331D+01  0.705831D+01 -0.173692D+01 -0.665308D+01
      2  -0.228467D+01 -0.571258D+01  0.525196D+01 -0.173914D+01 -0.914641D+01
      3  -0.170752D+01 -0.954066D+01 -0.582117D+01 -0.426084D+01  0.208310D+00
                71            72            73            74            75 
      1   0.453944D+01 -0.149472D+02 -0.383227D+00 -0.163784D+01  0.344753D+01
      2   0.780497D+00 -0.147890D+02  0.445527D+01  0.771324D+01 -0.956095D+01
      3  -0.438941D+01  0.359668D+01  0.538912D+01 -0.206823D+02 -0.739772D+01
                76            77            78            79            80 
      1  -0.164238D+01 -0.359546D+00 -0.242072D+01  0.503489D+01  0.193855D+01
      2   0.103169D+02  0.261289D+01  0.542199D+00 -0.217581D+02 -0.152819D+01
      3  -0.141553D+02 -0.474036D+01 -0.231474D+01 -0.843684D+01 -0.153655D+01
                81            82            83            84            85 
      1   0.203614D+01  0.187827D+01  0.424939D+01 -0.192418D+01  0.564884D+01
      2  -0.548804D+01 -0.526568D+01 -0.655798D+01  0.214006D+01 -0.855852D+01
      3  -0.472255D+01 -0.612669D+01  0.774710D+01  0.289063D+01  0.191687D+02
                86            87            88            89            90 
      1   0.422434D+01  0.615339D+01 -0.251516D+01  0.147743D+02 -0.320331D+01
      2  -0.454231D+01 -0.507856D+01  0.278233D+00 -0.609526D+01  0.129616D+01
      3   0.764630D+01 -0.117160D+00  0.326831D+01 -0.864648D-01  0.931276D+01
                91            92            93            94            95 
      1   0.475355D+00 -0.226941D+01  0.100429D+01  0.578586D+01  0.268716D+01
      2  -0.187101D+02 -0.245988D+01 -0.464911D+01 -0.303840D+01  0.144549D+02
      3  -0.721573D+01 -0.102211D+02  0.214459D+01  0.119487D+02  0.198023D+02
                96            97            98            99           100 
      1  -0.785889D+01  0.457143D+01 -0.596125D+00 -0.378673D+01 -0.191596D+01
      2   0.758663D+01 -0.232261D+02  0.350860D+01  0.146464D+02  0.529981D+01
      3  -0.189683D+02  0.374170D+01 -0.102861D+02 -0.701446D+01  0.329918D+01
               101           102           103           104           105 
      1   0.110439D+01 -0.206816D+01  0.594762D+00 -0.118667D+01  0.197272D-01
      2  -0.843640D+00  0.883819D+01 -0.202519D+01  0.195920D+01 -0.208095D+01
      3  -0.254890D+01  0.271160D+01 -0.194725D+00  0.287278D+01 -0.259223D+01
               106           107           108           109           110 
      1  -0.327928D+01  0.292860D+01 -0.420996D+01  0.267578D+01 -0.146782D+00
      2   0.916767D+01  0.121280D+00  0.162128D+02 -0.948297D+01 -0.297638D+01
      3   0.464139D+01 -0.614281D+01  0.317440D+01  0.116471D+01 -0.439846D+01
               111           112           113           114           115 
      1  -0.261404D+01  0.144454D+01  0.551695D+00 -0.154314D+01 -0.300291D+01
      2   0.101369D+02 -0.349386D+01 -0.325838D+01  0.250776D+01  0.107831D+02
      3   0.221202D+00 -0.430946D+00 -0.265753D+01  0.200032D+01  0.487625D+00
               116           117           118           119           120 
      1   0.847620D+00  0.310577D+01 -0.834870D+00 -0.700650D-02  0.176780D+00
      2   0.263913D+01 -0.112289D+02  0.286781D+01  0.481249D+00  0.407336D+00
      3   0.568016D+01  0.583271D+00  0.324831D+00 -0.954460D+00  0.438627D+00
               121           122           123           124           125 
      1  -0.125947D+01 -0.162847D+01  0.353244D+00 -0.566274D+00  0.428123D+01
      2   0.112192D+01  0.127958D+00 -0.167298D+01 -0.400476D+01 -0.793655D+00
      3   0.213297D+01  0.486205D+00 -0.488218D+00  0.653398D+00 -0.104184D+01
               126           127           128           129           130 
      1  -0.351590D+01  0.218421D+01 -0.133172D+01  0.218123D+01 -0.102977D+01
      2   0.643360D+01 -0.115446D+01  0.113395D+01 -0.876195D-01  0.150466D+01
      3   0.104352D+01 -0.247588D+01  0.101419D+01 -0.270074D+01  0.221344D+01
               131           132           133           134           135 
      1   0.455685D+01 -0.646289D+01  0.743678D+00 -0.541202D+01  0.108008D+02
      2  -0.274230D+01  0.300505D+01 -0.171566D+01  0.450961D+01 -0.557763D+01
      3  -0.822283D+01  0.382276D+01 -0.473980D+01  0.652591D+01 -0.592757D+01
               136           137           138           139           140 
      1  -0.153073D+01 -0.521602D+00  0.316955D+00 -0.550092D+00 -0.220297D+01
      2   0.182430D+01 -0.270188D-01  0.352283D+00  0.723453D-01  0.494470D+01
      3  -0.140176D+01  0.262513D+00  0.113520D+01  0.187758D+01 -0.108787D+02
               141           142           143           144           145 
      1  -0.614850D+01  0.105089D+00 -0.401180D+01 -0.747179D+01 -0.146112D+01
      2   0.437757D+01 -0.233576D+01  0.624668D+01  0.630685D+01 -0.404997D+01
      3  -0.502835D+01  0.265431D+01 -0.781359D+01 -0.692384D+01 -0.753692D+00
               146           147           148           149           150 
      1   0.228321D+01 -0.567540D+00  0.196269D+01 -0.125178D+02  0.402962D+01
      2   0.171820D+01 -0.159740D+01  0.364766D+01 -0.644826D+01  0.709533D+01
      3   0.412183D+00 -0.665770D-02  0.272985D+01 -0.673169D+01  0.373651D+01
               151           152           153           154           155 
      1  -0.620629D+00  0.672044D+01 -0.456005D+01  0.199581D+01 -0.333572D+01
      2  -0.327374D+01  0.447225D+01 -0.551885D+01  0.466126D+01 -0.131964D+01
      3  -0.583094D+00  0.307789D+01 -0.317820D+01  0.471809D+00 -0.403397D+01
               156           157           158           159           160 
      1   0.852931D+00 -0.173865D+01  0.192154D+01  0.446649D+00 -0.577007D+00
      2   0.392844D+01 -0.265872D+01 -0.112121D+01 -0.158438D+01 -0.224646D+01
      3  -0.711832D+00 -0.410721D+00  0.291899D+01  0.240546D+01  0.418810D+00
               161           162           163           164           165 
      1   0.276075D+01 -0.271248D+00  0.261107D+01  0.463989D+01 -0.668063D+00
      2  -0.606526D-01 -0.133471D+01 -0.123721D+02 -0.680303D+01 -0.513488D+01
      3   0.210497D+01  0.444856D+00  0.856151D+01  0.467354D+01  0.319469D+01
               166           167           168           169           170 
      1   0.267785D+01  0.425904D+01 -0.138613D-01  0.281852D+00  0.256410D+01
      2  -0.646483D+01 -0.735874D+01 -0.386906D+01 -0.445660D+01 -0.293584D+01
      3   0.646456D+01  0.596751D+01  0.398223D+01  0.142785D+01  0.181066D+01
               171           172           173           174           175 
      1   0.679996D+00 -0.233000D+01 -0.183859D+01 -0.333537D+01 -0.131313D+01
      2  -0.375443D+01  0.116279D+01  0.186373D+01 -0.116684D+00  0.141678D+01
      3   0.268152D+01  0.146483D+02  0.141714D+02  0.695959D+00  0.107863D+02
               176           177           178           179           180 
      1  -0.350469D+01 -0.356350D+01 -0.744576D+00 -0.732093D+00 -0.443243D-01
      2   0.104638D+01 -0.664159D+00 -0.111610D+01 -0.153044D+01  0.715839D+00
      3   0.171550D+02  0.637983D+00  0.154928D+01  0.254710D+01  0.259019D+01
               181           182           183           184           185 
      1  -0.492149D+01  0.274198D+01  0.476830D+01  0.306601D+01 -0.322209D+01
      2  -0.644845D+01  0.357989D+01  0.688265D+01  0.290398D+01 -0.337408D+01
      3  -0.306878D+01 -0.308845D+01  0.131680D+01  0.213251D+01  0.389666D+01
               186           187           188           189           190 
      1  -0.288050D+01  0.341722D+01 -0.121895D+01 -0.202192D+01  0.127582D+01
      2  -0.261118D+01  0.414651D+01 -0.250162D+01 -0.282910D+01  0.136814D+01
      3   0.617749D+00  0.557608D+00  0.345836D+01 -0.525247D+00  0.484487D+00
               191           192           193           194           195 
      1   0.169797D+00  0.222503D+01 -0.100164D+00  0.200672D+01  0.410725D+00
      2   0.160628D+00  0.255704D+01  0.137627D+00  0.147416D+01  0.120230D+01
      3   0.181290D+00 -0.138930D+01  0.100592D+01 -0.636416D+00 -0.147287D+01
               196           197           198           199           200 
      1   0.338410D+01  0.256918D+01  0.166512D+02 -0.842417D-01  0.474345D+00
      2   0.517324D+00 -0.235776D+01  0.185882D+02 -0.191443D+00 -0.484259D+00
      3  -0.196117D+01 -0.404509D+01  0.588504D+00  0.150044D+01 -0.661687D-01
               201           202           203           204           205 
      1  -0.138649D+00  0.518019D+01  0.696792D-03 -0.147804D+01  0.920437D+00
      2  -0.432208D+00  0.175934D+01  0.168534D+01 -0.164254D-01 -0.390298D+01
      3  -0.521148D+00  0.817456D+00  0.331908D+00 -0.844613D+00 -0.255196D+01
               206           207           208           209           210 
      1   0.256641D+01  0.388107D+01 -0.162292D+01  0.615064D-01  0.284177D-01
      2   0.659150D+00  0.321676D+01 -0.123111D+01  0.423073D+00 -0.829358D+00
      3  -0.150136D+01  0.351191D+00 -0.287302D+01 -0.579779D+00  0.485594D-01
               211           212           213           214           215 
      1   0.612740D+01 -0.593172D+00 -0.285609D-01  0.217573D+01  0.436944D+01
      2  -0.134876D+01 -0.201014D+01  0.300145D+01 -0.292280D+01  0.274977D+01
      3   0.902283D+01 -0.330559D+00  0.197224D+01  0.315436D+01  0.326307D+01
               216           217           218           219           220 
      1  -0.241330D+00  0.351432D+00 -0.508024D+00 -0.804486D+00 -0.218924D+01
      2  -0.103564D+02  0.443494D-01  0.132144D+01  0.368284D+01  0.405437D+01
      3  -0.346683D+01  0.161669D+01 -0.251439D+01 -0.189184D+01 -0.694453D+01
               221           222           223           224           225 
      1   0.282095D+01  0.247447D+01 -0.259748D+01  0.424833D+01  0.487582D+01
      2  -0.817715D+01 -0.117132D+02  0.902036D+01 -0.703179D+01 -0.256721D+02
      3   0.633291D+01  0.104966D+02 -0.400871D+01  0.918451D+01  0.997273D+01
               226           227           228           229           230 
      1  -0.151312D+01 -0.104417D+00 -0.106471D+01 -0.864520D+00 -0.336578D+00
      2   0.158715D+02  0.863612D+00  0.110439D+02  0.278985D+00  0.816558D+00
      3   0.300518D+01 -0.646706D+01  0.512156D+00 -0.276493D+01 -0.770833D+00
               231           232           233           234           235 
      1  -0.523398D+00 -0.118937D+01  0.828698D+00 -0.704529D+00  0.179466D+00
      2  -0.108115D+01  0.977716D+01 -0.235055D+00  0.892290D+01  0.100434D+01
      3  -0.552506D+00  0.537308D+00 -0.352609D+01  0.106550D+01  0.322657D-01
               236           237           238           239           240 
      1   0.686903D+00 -0.131254D+00 -0.189615D+01 -0.566815D+01 -0.390646D+00
      2   0.183679D+01  0.452548D+00  0.674698D+00 -0.921029D+01  0.723921D+01
      3   0.334264D+01 -0.217259D+01 -0.635994D+01 -0.333234D+02  0.120028D+02
               241           242           243 
      1  -0.140608D-01  0.192349D+01 -0.104288D-01
      2   0.346057D+01  0.576973D+01 -0.752361D+01
      3   0.835968D+00  0.857697D+01 -0.641108D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.111561D+01  0.179864D+02  0.167490D+02  0.161255D+02  0.122874D+02
      2   0.220832D+01 -0.147665D+02 -0.121549D+02 -0.133887D+02  0.438782D+01
      3  -0.332393D+01 -0.321986D+01 -0.459415D+01 -0.273680D+01 -0.166752D+02
      4   0.193531D+02 -0.232072D+01 -0.112473D+02 -0.921444D+00 -0.975413D+01
      5   0.237092D+02 -0.169305D+02 -0.185517D+02 -0.180033D+02  0.967659D+01
      6  -0.171728D+02 -0.477923D+01  0.501606D+01 -0.305075D+01  0.216817D+01
                 6             7             8             9            10 
      1  -0.515522D+01  0.124879D+02 -0.527294D+01 -0.139742D+02 -0.206558D+02
      2  -0.286699D+01 -0.796577D+01 -0.373508D+01 -0.207540D+01  0.218357D+02
      3   0.802221D+01 -0.452211D+01  0.900802D+01  0.160496D+02 -0.117989D+01
      4   0.140744D+02 -0.112609D+02  0.127249D+02  0.540161D+00 -0.346662D+02
      5  -0.514027D+00 -0.165228D+02  0.699801D+00 -0.744351D+01 -0.114293D+02
      6  -0.121187D+02  0.455085D+01 -0.104238D+02  0.780305D+01  0.527621D+01
                11            12            13            14            15 
      1  -0.199157D+02 -0.698178D+01 -0.243642D+02 -0.232656D+02 -0.451847D+01
      2   0.125763D+02  0.329499D+01  0.153379D+02  0.774032D+01  0.677161D+01
      3   0.733933D+01  0.368679D+01  0.902632D+01  0.155253D+02 -0.225315D+01
      4  -0.135492D+01  0.386377D+01 -0.149229D+01 -0.463024D+01 -0.145346D+02
      5   0.241579D+01  0.915809D+01  0.444052D+01 -0.123650D+02  0.157176D+01
      6  -0.375781D+01 -0.981774D+00 -0.193090D+01  0.109146D+02  0.282033D+00
                16            17            18            19            20 
      1   0.211086D+01 -0.358372D+01  0.110362D+02  0.625794D+02  0.863493D+01
      2  -0.921029D+01  0.919670D+01 -0.455951D+01 -0.617809D+02 -0.104629D+02
      3   0.709943D+01 -0.561298D+01 -0.647673D+01 -0.798507D+00  0.182800D+01
      4   0.784995D+01 -0.178666D+02 -0.202393D+01  0.540829D+01 -0.150819D+02
      5   0.107056D+02 -0.775561D+00  0.186263D+02 -0.721524D+01 -0.370528D+01
      6  -0.279297D+01 -0.902401D+00 -0.910091D+01 -0.133737D+02 -0.366925D+01
                21            22            23            24            25 
      1   0.319554D+01  0.105139D+02  0.906259D+01 -0.167000D+01  0.219293D+01
      2  -0.431930D+01 -0.147230D+02 -0.109243D+02 -0.390478D+01  0.857886D+00
      3   0.112375D+01  0.420903D+01  0.186170D+01  0.557478D+01 -0.305082D+01
      4  -0.371203D+01 -0.315106D+02 -0.537424D+01  0.372085D+01 -0.836913D+01
      5   0.777411D+00 -0.823078D+01  0.205384D+00  0.502803D+01 -0.332905D+01
      6  -0.121080D+01 -0.774177D+01 -0.385085D+01  0.163527D+01 -0.134330D+01
                26            27            28            29            30 
      1  -0.159722D+01  0.749758D+01 -0.131015D+03 -0.619888D+01 -0.466687D+01
      2  -0.446795D+01  0.107154D+02  0.964351D+02  0.468060D+01  0.277281D+01
      3   0.606517D+01 -0.182130D+02  0.345803D+02  0.151828D+01  0.189406D+01
      4   0.595254D+01  0.486814D+01  0.251474D+01 -0.769337D+01 -0.956041D+00
      5   0.331946D+01 -0.690029D+01  0.493619D+01 -0.990965D+00 -0.100157D+02
      6   0.343860D+01  0.234367D+01  0.171806D+02  0.437031D+01  0.134759D+01
                31            32            33            34            35 
      1  -0.310612D+02 -0.261800D+02 -0.795056D+01  0.289644D+02 -0.436926D+01
      2   0.270255D+02  0.245798D+02  0.442951D+01 -0.168811D+02  0.498760D+01
      3   0.403573D+01  0.160027D+01  0.352105D+01 -0.120833D+02 -0.618344D+00
      4  -0.853764D+01 -0.849990D+01 -0.204859D+01 -0.105728D+01 -0.890501D+00
      5  -0.102711D+01 -0.460118D+00 -0.234629D+01  0.117078D+01  0.166722D+01
      6   0.278178D+01  0.647246D+01  0.401602D+01 -0.674232D+00 -0.439294D+00
                36            37            38            39            40 
      1  -0.392552D+01  0.157187D+03  0.106430D+02  0.951433D+01  0.325235D+02
      2  -0.938533D+00 -0.110635D+03 -0.669240D+01 -0.627639D+01 -0.167535D+02
      3   0.486405D+01 -0.465517D+02 -0.395056D+01 -0.323794D+01 -0.157700D+02
      4   0.209602D+01 -0.505223D+01  0.149513D+02  0.583270D+00  0.309332D+02
      5  -0.172904D+01  0.124373D+02  0.216956D+01  0.189407D+02  0.648756D+01
      6   0.534014D+01 -0.180410D+02 -0.435774D+01 -0.280835D+01 -0.113949D+02
                41            42            43            44            45 
      1   0.410349D+01 -0.243548D+01 -0.306474D+02 -0.814250D+01  0.131492D+02
      2   0.276198D+01 -0.343304D+01  0.201345D+02  0.306851D+01 -0.236713D+01
      3  -0.686547D+01  0.586853D+01  0.105130D+02  0.507399D+01 -0.107821D+02
      4   0.721714D+01 -0.326192D+01  0.254168D+01 -0.211165D+01 -0.662549D+01
      5  -0.272401D+01 -0.501128D+01  0.262494D+02 -0.455783D+01  0.762751D+01
      6  -0.103412D+01  0.475235D+01 -0.200496D+01  0.269244D+01  0.589673D+01
                46            47            48            49            50 
      1  -0.651452D+02 -0.489925D+01  0.539929D+01  0.604940D+01 -0.323998D+01
      2   0.467562D+02 -0.177231D+01  0.930376D-01 -0.925960D+01  0.673219D+01
      3   0.183890D+02  0.667157D+01 -0.549233D+01  0.321020D+01 -0.349221D+01
      4  -0.401703D+01 -0.152235D+02  0.401086D+01 -0.744330D+00  0.248290D+01
      5  -0.675998D+01  0.987068D+00 -0.145862D+02  0.237457D+02 -0.585793D+01
      6   0.120530D+02  0.135710D+01  0.514801D-01 -0.242889D+01  0.546693D+01
                51            52            53            54            55 
      1   0.791482D+01 -0.525127D+02  0.329922D+01 -0.162867D+02  0.322402D+02
      2  -0.943458D+01  0.466728D+02  0.175268D+01  0.208617D+02 -0.188019D+02
      3   0.151976D+01  0.583988D+01 -0.505190D+01 -0.457506D+01 -0.134383D+02
      4  -0.733591D+01  0.246740D+02 -0.799489D+01  0.110567D+02 -0.820604D+01
      5   0.944737D+01 -0.596525D+02  0.612140D+01 -0.454056D+02  0.220035D+02
      6   0.304722D+01  0.133494D+02 -0.594140D+01  0.745339D+01 -0.213335D+01
                56            57            58            59            60 
      1  -0.350081D+01  0.121359D+02 -0.260646D+02 -0.572441D+00 -0.270034D+01
      2   0.275892D+01 -0.813202D+01  0.162720D+02  0.149569D+01  0.311610D+01
      3   0.741889D+00 -0.400389D+01  0.979263D+01 -0.923252D+00 -0.415766D+00
      4   0.125763D+02 -0.480044D+01  0.235064D+02 -0.160024D+02  0.209263D+02
      5  -0.382604D+01  0.205985D+02 -0.182079D+02  0.202882D+02 -0.132471D+02
      6   0.194830D+01 -0.144972D+01  0.109372D+02 -0.853073D+01  0.134655D+02
                61            62            63            64            65 
      1   0.747286D+02  0.382810D+01  0.248765D+01 -0.190034D+01  0.345745D+02
      2  -0.572589D+02 -0.273074D+01 -0.315088D+02 -0.191837D+02 -0.240508D+02
      3  -0.174697D+02 -0.109736D+01  0.290211D+02  0.210841D+02 -0.105237D+02
      4  -0.142385D+02  0.182227D+02 -0.158142D+02  0.341405D+02 -0.177593D+02
      5   0.675357D+02 -0.101236D+02  0.774942D+02  0.867886D+01 -0.242939D+01
      6  -0.119283D+02  0.145749D+02 -0.958688D+01 -0.736580D+01  0.627138D+01
                66            67            68            69            70 
      1   0.104396D+02  0.305727D+02  0.422136D+01  0.109901D+00  0.959424D+01
      2  -0.510284D+00 -0.192996D+02 -0.410720D+01 -0.674371D+01  0.533165D+01
      3  -0.992930D+01 -0.112731D+02 -0.114157D+00  0.663381D+01 -0.149259D+02
      4  -0.119595D+02 -0.133777D+02 -0.653351D+01  0.144281D+02 -0.174535D+02
      5  -0.460250D+01 -0.385524D+01  0.140895D+02 -0.557689D+01 -0.639609D+01
      6   0.408122D+01  0.763171D+01 -0.124523D+02  0.517330D+01  0.546739D+01
                71            72            73            74            75 
      1  -0.209093D+01 -0.326872D+01 -0.739985D+01 -0.998480D+01  0.280767D+01
      2  -0.942423D+01  0.164475D+02  0.526635D+01  0.809395D+01  0.493381D+01
      3   0.115152D+02 -0.131788D+02  0.213350D+01  0.189086D+01 -0.774148D+01
      4   0.166785D+02  0.345772D+01 -0.777859D+01  0.111964D+02  0.106875D+02
      5  -0.905173D+00 -0.323042D+02  0.997978D+01  0.103586D+02 -0.246633D+02
      6   0.495014D+01  0.182351D+02  0.300471D+01  0.759130D+01 -0.268700D+01
                76            77            78            79            80 
      1  -0.120565D+02  0.306460D+02  0.173677D+02  0.968294D+01  0.179993D+02
      2   0.100864D+02 -0.142667D+02 -0.963509D+01  0.350944D+01 -0.103227D+02
      3   0.197007D+01 -0.163793D+02 -0.773259D+01 -0.131924D+02 -0.767659D+01
      4   0.233908D+02  0.197640D+02  0.903984D+01  0.197858D+02  0.121681D+02
      5   0.173873D+02  0.687302D+01  0.251157D+01 -0.361694D+02 -0.128625D+00
      6   0.678334D+01  0.140536D+01  0.721821D+00 -0.520949D+01  0.160422D+01
                81            82            83            84            85 
      1  -0.298889D+02 -0.373362D+02  0.641746D+01  0.544319D+01  0.982180D+01
      2   0.224798D+02  0.411382D+02  0.500646D+01 -0.597260D+01  0.380978D+01
      3   0.740915D+01 -0.380204D+01 -0.114239D+02  0.529412D+00 -0.136316D+02
      4  -0.458017D+01  0.231044D+02  0.180268D+02 -0.824733D+00  0.233915D+02
      5  -0.153009D+02  0.524659D+01  0.566859D+00  0.246369D+01 -0.890951D+00
      6   0.207675D+01  0.108720D+02 -0.221773D+01  0.253669D+01 -0.932620D+00
                86            87            88            89            90 
      1   0.632334D+01 -0.134018D+01  0.184590D+02  0.279713D+01  0.220358D+02
      2  -0.141818D+00  0.204037D+01 -0.189151D+02 -0.257353D+01 -0.242555D+02
      3  -0.618152D+01 -0.700192D+00  0.456076D+00 -0.223601D+00  0.221974D+01
      4   0.322574D+00 -0.691667D+01 -0.609863D+01 -0.120678D+02 -0.115069D+02
      5  -0.272409D+01 -0.104819D+02  0.234041D+01 -0.145525D+02  0.201992D+01
      6  -0.873048D+01 -0.185356D+02 -0.176140D+01 -0.280491D+02 -0.410101D+01
                91            92            93            94            95 
      1  -0.212376D+02  0.777557D+01 -0.381520D+02  0.177358D+02  0.119541D+02
      2   0.913189D+01 -0.191309D+01  0.181815D+02 -0.144989D+02 -0.112378D+02
      3   0.121057D+02 -0.586248D+01  0.199705D+02 -0.323684D+01 -0.716306D+00
      4   0.130472D+02  0.127038D+02 -0.104826D+02 -0.367322D+01 -0.307519D+02
      5  -0.432005D+02 -0.959801D+01 -0.297575D+01 -0.116840D+02  0.249355D+02
      6  -0.628278D+01 -0.418943D+01  0.224236D+01  0.261954D+01  0.962866D+01
                96            97            98            99           100 
      1  -0.916450D+01 -0.541499D+02 -0.787912D+01 -0.192620D+02  0.339935D+02
      2   0.154698D+02  0.251058D+02  0.110797D+02  0.150775D+02 -0.225036D+02
      3  -0.630531D+01  0.290441D+02 -0.320062D+01  0.418451D+01 -0.114899D+02
      4   0.270113D+02 -0.109690D+02  0.194399D+02  0.112184D+02  0.569101D+01
      5   0.176639D+02 -0.233432D+02  0.113805D+02  0.300824D+02  0.236310D+02
      6  -0.767094D+01  0.329676D+01 -0.430189D+01 -0.593923D+01  0.170575D+01
               101           102           103           104           105 
      1   0.143667D+01  0.156242D+02 -0.531411D+01  0.808156D+00 -0.475359D+01
      2  -0.269089D+00 -0.123133D+02  0.402409D+01 -0.135723D+01  0.407705D+01
      3  -0.116758D+01 -0.331094D+01  0.129002D+01  0.549079D+00  0.676542D+00
      4   0.517655D+01  0.941815D+00  0.553577D+01 -0.332599D+01  0.500138D+01
      5  -0.953166D+00  0.224879D+02 -0.593856D+01  0.596682D+01 -0.479211D+01
      6   0.114583D+01  0.245410D+01  0.198817D+01 -0.228136D+00  0.358994D+01
               106           107           108           109           110 
      1   0.270706D+02 -0.207694D+01  0.184080D+02  0.565047D+02  0.124661D+02
      2  -0.224116D+02  0.270035D+01 -0.223260D+02 -0.284890D+02 -0.439334D+01
      3  -0.465903D+01 -0.623414D+00  0.391802D+01 -0.280157D+02 -0.807278D+01
      4   0.259686D+01  0.894681D+01  0.377633D+01  0.242294D+02  0.128054D+02
      5   0.355762D+02  0.767258D+00  0.396477D+02 -0.213450D+02 -0.615613D+01
      6   0.376430D+01  0.417003D+01  0.491381D+01 -0.615783D+01 -0.298583D+01
               111           112           113           114           115 
      1  -0.166623D+02  0.114960D+02  0.416482D+01 -0.471578D+01 -0.339293D+02
      2   0.838997D+01 -0.353605D+01  0.166228D+01  0.145709D+01  0.177979D+02
      3   0.827229D+01 -0.795993D+01 -0.582710D+01  0.325870D+01  0.161314D+02
      4  -0.867914D+01  0.146640D+02  0.100040D+02 -0.778540D+01 -0.172540D+02
      5   0.186599D+02 -0.658284D+01 -0.701307D+01  0.419832D+01  0.281168D+02
      6   0.416628D+01 -0.375905D+01 -0.255991D+01  0.352926D+01  0.735542D+01
               116           117           118           119           120 
      1  -0.844843D+01  0.181690D+02  0.538725D+00 -0.403087D+00  0.251385D+01
      2   0.265594D+01 -0.133395D+02 -0.347301D+01  0.252633D+00  0.153769D+00
      3   0.579250D+01 -0.482952D+01  0.293429D+01  0.150454D+00 -0.266762D+01
      4  -0.137807D+02  0.963934D+01 -0.134397D+01  0.243105D+01  0.512373D+00
      5   0.666679D+01 -0.209174D+02  0.105735D+01 -0.228624D+00  0.538842D+01
      6   0.423822D+01 -0.630957D+01 -0.357429D+00 -0.144454D+00  0.626265D-02
               121           122           123           124           125 
      1   0.815288D+00 -0.494315D+01  0.443133D+01  0.451012D+00  0.204794D+01
      2   0.593020D-01  0.995054D+00  0.795947D+00 -0.344232D+00  0.224083D+01
      3  -0.874590D+00  0.394809D+01 -0.522727D+01 -0.106780D+00 -0.428877D+01
      4   0.244088D+01 -0.113871D+01  0.127985D+01  0.237906D+00  0.394020D+01
      5  -0.620610D+00  0.101806D+01 -0.257571D+01  0.543236D+01 -0.162066D+01
      6  -0.161395D+00 -0.231057D+01  0.576074D+01 -0.130782D+00  0.470303D+01
               126           127           128           129           130 
      1  -0.210449D+02 -0.366300D+00  0.579236D+01 -0.397502D+01  0.374496D+01
      2  -0.115987D+02  0.424011D+00 -0.763172D+01  0.356947D+01 -0.361562D+01
      3   0.326436D+02 -0.577113D-01  0.183936D+01  0.405553D+00 -0.129340D+00
      4  -0.273975D+01 -0.171718D+01  0.879722D+00 -0.220646D+01  0.300263D+01
      5   0.108751D+02 -0.131020D+01  0.200698D-01  0.191510D-01 -0.132572D-01
      6  -0.311072D+00 -0.462721D+01  0.238484D+01 -0.293341D+01  0.687412D+00
               131           132           133           134           135 
      1  -0.182698D+02  0.755260D+01 -0.687311D+01  0.144861D+02 -0.147792D+02
      2   0.254033D+02 -0.102075D+02  0.426108D+01 -0.195146D+02  0.137074D+02
      3  -0.713355D+01  0.265495D+01  0.261203D+01  0.502847D+01  0.107173D+01
      4   0.100203D+02 -0.377024D+01 -0.498937D+01 -0.787029D+01  0.595425D+01
      5  -0.526425D+01  0.597353D+01  0.702795D+00  0.833213D+01 -0.103733D+02
      6  -0.943111D+01  0.116112D+02 -0.408630D+00  0.155328D+02 -0.155012D+02
               136           137           138           139           140 
      1   0.478793D+01  0.513385D+01  0.312920D+01  0.286261D+01 -0.261204D+02
      2  -0.374491D+01 -0.374005D+01 -0.124242D+01 -0.514061D+00  0.325183D+02
      3  -0.104302D+01 -0.139380D+01 -0.188677D+01 -0.234855D+01 -0.639791D+01
      4   0.387344D+01  0.557605D+01  0.426874D+01  0.820962D+01  0.217389D+02
      5   0.247231D+01  0.315318D+01  0.381465D+01  0.389204D+01  0.110935D+02
      6   0.393946D+01 -0.253387D+00 -0.688524D+00  0.373610D+01  0.256922D+02
               141           142           143           144           145 
      1  -0.127682D+02 -0.125945D+01 -0.218578D+02 -0.205790D+02 -0.187479D+01
      2   0.126910D+02  0.352316D+01  0.205885D+02  0.120625D+02 -0.943918D+00
      3   0.771338D-01 -0.226372D+01  0.126935D+01  0.851645D+01  0.281871D+01
      4   0.109646D+02  0.989180D+01  0.177969D+02  0.131844D+02  0.698498D+00
      5   0.924899D+01  0.696628D+01  0.144482D+02  0.136342D+02 -0.248946D+01
      6   0.199221D+02  0.525609D+01  0.288661D+02  0.255052D+02 -0.843327D+00
               146           147           148           149           150 
      1   0.132362D+01 -0.574891D+01  0.285414D+01 -0.918071D+01  0.100272D+02
      2   0.961648D+00  0.714536D+00 -0.100290D+01 -0.826765D+00  0.700848D+01
      3  -0.228527D+01  0.503438D+01 -0.185124D+01  0.100075D+02 -0.170357D+02
      4   0.320140D+00  0.120480D+01  0.389108D+00  0.150623D+02 -0.872824D+01
      5  -0.240283D+00  0.303569D+01 -0.308621D+01 -0.694407D+01  0.113005D+02
      6   0.258744D+01 -0.158983D+01  0.153032D+01 -0.158325D+02  0.107626D+02
               151           152           153           154           155 
      1  -0.355065D+01  0.679799D+01 -0.957614D+01  0.269761D+02 -0.667205D+01
      2   0.118840D+01  0.410916D+01 -0.711191D+01 -0.193942D+02  0.350255D+01
      3   0.236225D+01 -0.109072D+02  0.166880D+02 -0.758185D+01  0.316951D+01
      4   0.974858D+00 -0.691543D+01  0.657255D+01 -0.206368D+02  0.143944D+02
      5   0.446433D+01  0.516939D+01 -0.795395D+01 -0.364091D+02  0.135714D+02
      6  -0.132044D+01  0.104209D+02 -0.849835D+01  0.117673D+02 -0.866010D+01
               156           157           158           159           160 
      1  -0.815431D+01 -0.726054D+01  0.819376D+00  0.700616D-01 -0.643900D+01
      2   0.140360D+02  0.410087D+01 -0.299486D+00 -0.234593D+01  0.106777D+02
      3  -0.588169D+01  0.315967D+01 -0.519890D+00  0.227587D+01 -0.423865D+01
      4   0.114668D+02  0.129374D+02 -0.106953D+02 -0.945246D+01  0.793826D+01
      5   0.294201D+02  0.131830D+02 -0.105899D+02 -0.108645D+02  0.209441D+02
      6  -0.966768D+01 -0.741252D+01  0.788291D+01  0.949457D+01 -0.689453D+01
               161           162           163           164           165 
      1   0.290426D+00  0.258964D+01 -0.110944D+02 -0.131979D+02 -0.130539D+02
      2  -0.182047D+01 -0.101751D+02  0.555653D+01  0.930127D+01  0.189726D+01
      3   0.153005D+01  0.758545D+01  0.553783D+01  0.389661D+01  0.111566D+02
      4  -0.600540D+01 -0.798182D+01  0.175029D+01 -0.692829D+00  0.525150D+00
      5  -0.788068D+01 -0.198577D+02  0.655138D+01  0.447031D+01  0.137719D+01
      6   0.704344D+01  0.764740D+01  0.839732D+01  0.106485D+02  0.752955D+01
               166           167           168           169           170 
      1  -0.105783D+02 -0.159199D+02 -0.883506D+01 -0.659603D+01 -0.483613D+01
      2   0.759997D+01  0.119419D+02  0.232520D+01  0.111724D+01  0.834063D+00
      3   0.297829D+01  0.397800D+01  0.650986D+01  0.547879D+01  0.400207D+01
      4   0.167523D+01 -0.267642D+01 -0.333886D+01  0.108179D+01 -0.172283D+01
      5   0.638473D+01  0.485300D+00 -0.183527D+01  0.407835D+01  0.194385D+00
      6   0.641842D+01  0.123071D+02  0.106715D+02  0.374647D+01  0.729546D+01
               171           172           173           174           175 
      1  -0.720209D+01 -0.140314D+02 -0.244713D+02 -0.962541D+00 -0.151935D+02
      2   0.193586D+00  0.157096D+02  0.285369D+02  0.932602D+00  0.150823D+02
      3   0.700851D+01 -0.167827D+01 -0.406563D+01  0.299387D-01  0.111197D+00
      4  -0.464696D+00  0.480455D+01 -0.603153D+00  0.248280D+01  0.573046D+01
      5   0.826076D+00 -0.443222D+01 -0.146757D+01 -0.194602D+01 -0.212251D+01
      6   0.521412D+01  0.276564D+00 -0.360135D+01  0.546134D+01 -0.137226D+01
               176           177           178           179           180 
      1  -0.263638D+02 -0.518632D+00 -0.315382D+01 -0.254962D+01 -0.460860D+01
      2   0.361635D+02  0.201723D+01  0.128126D+01  0.572380D+01  0.277654D+01
      3  -0.979969D+01 -0.149860D+01  0.187256D+01 -0.317418D+01  0.183206D+01
      4  -0.741164D+01 -0.776322D+00  0.301726D+01 -0.379457D+01 -0.383851D+00
      5  -0.323988D+01 -0.198824D+01  0.379399D+00 -0.161410D+01  0.173132D+01
      6  -0.266272D+01  0.514807D+01  0.216026D+01  0.493749D+01 -0.502350D+00
               181           182           183           184           185 
      1   0.422466D+02 -0.168996D+02 -0.742660D+01 -0.145109D+02  0.507241D+01
      2  -0.757833D+01 -0.373710D+01  0.126403D+01 -0.203227D+01  0.109999D+02
      3  -0.346682D+02  0.206367D+02  0.616257D+01  0.165432D+02 -0.160723D+02
      4  -0.485643D+02  0.344821D+02  0.718321D+01  0.274925D+02 -0.250610D+02
      5  -0.346712D+01  0.958595D+00  0.997203D+01  0.159999D+01 -0.297670D+01
      6   0.339244D+01 -0.150261D+01 -0.708125D+01 -0.169143D+01  0.226625D+01
               186           187           188           189           190 
      1   0.123881D+01 -0.117290D+02  0.266051D+01  0.514050D+01  0.368158D+01
      2   0.248778D+01  0.470326D+00  0.556614D+01 -0.245565D+01 -0.225353D+01
      3  -0.372660D+01  0.112587D+02 -0.822665D+01 -0.268484D+01 -0.142805D+01
      4  -0.596531D+01  0.163645D+02 -0.148039D+02 -0.867090D+01 -0.625465D+01
      5  -0.327271D+01  0.909767D+01 -0.510566D+01 -0.440434D+01  0.670127D+01
      6   0.368131D+01 -0.682336D+01  0.429421D+01  0.335090D+01 -0.276654D+01
               191           192           193           194           195 
      1  -0.386123D+01  0.395200D+01 -0.304676D+00 -0.195560D+01  0.207491D+01
      2   0.210803D+01 -0.433905D+01 -0.183376D+00 -0.246324D+00 -0.409151D+01
      3   0.175319D+01  0.387053D+00  0.488052D+00  0.220192D+01  0.201660D+01
      4   0.440441D+01 -0.262763D+01  0.204103D+01  0.157171D+01  0.285701D+01
      5  -0.115234D+01  0.997046D+01  0.146154D+01  0.296333D+01  0.259334D+01
      6   0.582856D+00 -0.356529D+01  0.198586D+00 -0.105003D+01  0.401401D+01
               196           197           198           199           200 
      1   0.435954D+01  0.444617D+01 -0.955150D+01 -0.202744D+01 -0.837487D+00
      2  -0.617586D+01 -0.478843D+01 -0.162203D+02  0.202766D+01  0.715987D+00
      3   0.181632D+01  0.342260D+00  0.257718D+02 -0.219658D-03  0.121501D+00
      4  -0.608999D+01  0.850292D+01 -0.848595D+01  0.918922D-01  0.129104D+01
      5   0.151526D+02 -0.621149D+01  0.413049D+02 -0.374392D+00 -0.453192D+00
      6  -0.704978D+01  0.984244D+01 -0.282117D+02 -0.524736D+00  0.202559D+00
               201           202           203           204           205 
      1   0.557321D+00 -0.228840D+01 -0.179178D+01  0.519884D+01  0.571099D+01
      2  -0.553975D+00 -0.202179D+01  0.100830D+01 -0.266702D+01 -0.293910D+01
      3  -0.334529D-02  0.431019D+01  0.783484D+00 -0.253182D+01 -0.277189D+01
      4  -0.701480D+00  0.807363D+00 -0.122374D+01  0.191606D+01 -0.383253D+00
      5   0.224538D+01 -0.576353D+00  0.992672D+00 -0.795592D+00  0.164774D+01
      6   0.695388D-02  0.977612D+00 -0.363936D+01  0.370491D+01  0.780462D+00
               206           207           208           209           210 
      1   0.647314D+01 -0.126522D+02  0.211562D+01  0.240743D+01 -0.547512D+01
      2  -0.463790D+01  0.109090D+01 -0.298407D+01 -0.133655D+01  0.197410D+01
      3  -0.183523D+01  0.115613D+02  0.868443D+00 -0.107088D+01  0.350101D+01
      4   0.193257D+01 -0.300612D+01  0.257151D+01  0.118934D+01 -0.153142D+01
      5  -0.192513D+01  0.410040D+01 -0.478109D+01 -0.169274D+01  0.386467D+01
      6   0.497620D+01 -0.716317D+01 -0.182973D+01  0.256371D+00  0.393850D+00
               211           212           213           214           215 
      1   0.272495D+01 -0.442284D+01  0.405054D+01 -0.243631D+01  0.447379D+01
      2  -0.440910D+01  0.788960D+00  0.175573D+01  0.352079D+01  0.235623D+00
      3   0.168414D+01  0.363388D+01 -0.580627D+01 -0.108448D+01 -0.470941D+01
      4  -0.219491D+01  0.164051D+01 -0.242788D+01 -0.369880D+01 -0.390714D+01
      5  -0.516874D+01 -0.337614D+01  0.683558D+01  0.751385D+01  0.563325D+01
      6   0.135559D+01 -0.306633D+01  0.428822D+01  0.247040D+01  0.632166D+01
               216           217           218           219           220 
      1  -0.181373D+02  0.157376D+02 -0.620697D+01 -0.656539D+01 -0.181495D+02
      2  -0.733681D+01 -0.112419D+02  0.379595D+01  0.515989D+01  0.119601D+02
      3   0.254741D+02 -0.449568D+01  0.241103D+01  0.140551D+01  0.618941D+01
      4   0.434520D+01 -0.687793D+01  0.343143D+01  0.491300D+01  0.118819D+02
      5  -0.203890D+02 -0.814295D+01  0.561493D+01  0.109239D+02  0.156597D+02
      6  -0.636931D+01  0.260775D+01 -0.405586D+00 -0.720692D+00 -0.409241D+01
               221           222           223           224           225 
      1   0.138748D+01  0.501019D+01 -0.228317D+02 -0.586758D+00  0.935862D+01
      2  -0.160242D+01 -0.949965D+01  0.178063D+02 -0.472799D+01 -0.220391D+02
      3   0.214933D+00  0.448946D+01  0.502537D+01  0.531475D+01  0.126805D+02
      4  -0.127629D+02 -0.187377D+02  0.420663D+01 -0.181132D+02 -0.156689D+02
      5  -0.175458D+02 -0.249382D+02  0.330771D+02 -0.142043D+02 -0.565648D+02
      6   0.558537D+01  0.828326D+01 -0.247490D+01  0.694532D+01  0.629713D+01
               226           227           228           229           230 
      1   0.980302D+02  0.185031D+01  0.224396D+02 -0.538740D+01  0.856015D+01
      2  -0.467085D+02  0.305763D+00 -0.975040D+01  0.371351D+01 -0.259118D+01
      3  -0.513217D+02 -0.215607D+01 -0.126892D+02  0.167389D+01 -0.596897D+01
      4   0.634302D+01  0.130563D+02  0.260649D+01  0.130959D+02  0.273216D+01
      5   0.184221D+02  0.172241D+01  0.166534D+02  0.644384D+00  0.159199D+01
      6   0.302407D+01 -0.139654D+00  0.162624D+01  0.233455D+00 -0.594002D+00
               231           232           233           234           235 
      1   0.436644D+00  0.478794D+02  0.237053D+01  0.186586D+02  0.275110D+01
      2  -0.900374D+00 -0.227754D+02 -0.107729D+01 -0.105337D+02  0.264561D-01
      3   0.463730D+00 -0.251041D+02 -0.129325D+01 -0.812490D+01 -0.277756D+01
      4   0.195247D+01  0.480707D+01  0.715271D+01  0.168827D+00  0.321930D+01
      5  -0.266139D+01  0.213648D+02 -0.380282D+00  0.159664D+02  0.292844D+01
      6   0.206907D+01  0.235555D+01  0.162584D+01  0.244945D+01 -0.202083D+01
               236           237           238           239           240 
      1   0.824181D+01  0.455610D+00  0.208758D+02 -0.906467D+01  0.297570D+01
      2  -0.564856D+01 -0.690169D-01 -0.619834D+01  0.221819D+02 -0.457911D+01
      3  -0.259325D+01 -0.386593D+00 -0.146775D+02 -0.131172D+02  0.160341D+01
      4  -0.343073D+00  0.157833D+01  0.211270D+02  0.590118D+02 -0.206933D+02
      5   0.915601D+00 -0.220792D+00 -0.887807D+01 -0.190990D+02  0.145283D+02
      6   0.131738D+01 -0.153565D+01 -0.451157D+01 -0.167166D+02  0.109102D+02
               241           242           243 
      1  -0.584983D+01  0.325421D+01  0.139998D+01
      2   0.335528D+01 -0.298549D+01 -0.137755D+01
      3   0.249455D+01 -0.268724D+00 -0.224307D-01
      4  -0.410600D+01 -0.156139D+02  0.110748D+02
      5   0.126975D+02  0.113119D+02 -0.169935D+02
      6   0.198985D+01  0.940440D+01 -0.583195D+01
 Leave Link  716 at Fri Aug 13 11:38:31 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169801D+03  0.572621D+01 -0.260130D+01
      2   0.572621D+01  0.107820D+03 -0.289978D+01
      3  -0.260130D+01 -0.289978D+01  0.112209D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.488186D+01 -0.660937D+01 -0.711437D+01
      2   0.325079D+02 -0.111366D+02 -0.550098D+01
      3  -0.246746D+02  0.389779D+02  0.149890D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.864186D+02  0.260184D+02 -0.168391D+01
      2  -0.702606D+02  0.616923D-01  0.282482D+01
      3  -0.161580D+02 -0.260801D+02 -0.114091D+01
      4   0.339426D+02 -0.927598D+02 -0.331063D+02
      5  -0.233351D+02 -0.325520D+02 -0.961761D+01
      6  -0.151091D+02 -0.258879D+02  0.105862D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341908D+01 -0.427548D+01 -0.403881D+01 -0.462110D+01 -0.160091D+01
      2  -0.427548D+01 -0.178628D+01  0.791337D+00 -0.160091D+01  0.164886D+01
      3  -0.403881D+01  0.791337D+00  0.138683D+01  0.104412D+01 -0.369068D+01
                 6             7             8             9            10 
      1   0.104412D+01 -0.317635D+01  0.109661D+01  0.133112D+01 -0.222230D+02
      2  -0.369068D+01  0.109661D+01 -0.314923D+01  0.560647D+00  0.655385D+01
      3   0.901731D+00  0.133112D+01  0.560647D+00  0.310335D+01  0.339791D+01
                11            12            13            14            15 
      1   0.655385D+01  0.339791D+01  0.103754D+02 -0.711931D+00 -0.129197D+01
      2   0.158718D+01 -0.565743D+00 -0.711931D+00  0.983951D+00  0.289685D+01
      3  -0.565743D+00 -0.154322D+01 -0.129197D+01  0.289685D+01 -0.606471D-01
                16            17            18            19            20 
      1   0.135480D+02 -0.172411D+01 -0.233473D+01  0.477102D+02  0.144369D+00
      2  -0.172411D+01  0.359212D+01  0.495617D+00  0.144369D+00  0.398715D+01
      3  -0.233473D+01  0.495617D+00 -0.438031D+01 -0.429467D+00  0.110680D+01
                21            22            23            24            25 
      1  -0.429467D+00 -0.397749D+01  0.911943D+01  0.294514D+01 -0.349695D+01
      2   0.110680D+01  0.911943D+01  0.135321D+01 -0.560194D+00  0.236945D+01
      3   0.531296D+00  0.294514D+01 -0.560194D+00 -0.272500D+01  0.105827D+01
                26            27            28            29            30 
      1   0.236945D+01  0.105827D+01 -0.656309D+02 -0.363660D+01  0.448924D-01
      2  -0.796629D+00 -0.235664D+01 -0.363660D+01 -0.309381D+01 -0.589293D+00
      3  -0.235664D+01  0.487251D+01  0.448924D-01 -0.589293D+00 -0.169603D+01
                31            32            33            34            35 
      1  -0.110261D+02 -0.659742D+01 -0.195840D+01  0.922679D+01 -0.353131D+00
      2  -0.659742D+01 -0.329187D+01 -0.242316D+00 -0.353131D+00  0.361167D+00
      3  -0.195840D+01 -0.242316D+00  0.151574D+01 -0.238313D+01  0.169634D+01
                36            37            38            39            40 
      1  -0.238313D+01  0.596474D+02  0.337843D+01  0.304562D+01  0.128010D+02
      2   0.169634D+01  0.337843D+01  0.169357D+01  0.758888D+00  0.525231D+01
      3  -0.322478D+01  0.304562D+01  0.758888D+00  0.129855D+01  0.140901D+01
                41            42            43            44            45 
      1   0.525231D+01  0.140901D+01 -0.118408D+02 -0.454382D+00  0.399693D+01
      2   0.270843D+01 -0.696720D+00 -0.454382D+00 -0.122295D+01 -0.180906D+01
      3  -0.696720D+00 -0.198981D+01  0.399693D+01 -0.180906D+01  0.249605D+01
                46            47            48            49            50 
      1  -0.195476D+02 -0.748305D+00 -0.365505D+01  0.604766D+01  0.454456D+00
      2  -0.748305D+00  0.866196D+00  0.758867D-02  0.454456D+00  0.729493D+00
      3  -0.365505D+01  0.758867D-02  0.579571D+00  0.300331D+01 -0.907986D+00
                51            52            53            54            55 
      1   0.300331D+01 -0.263875D+02  0.972540D+00 -0.869713D+01  0.575468D+01
      2  -0.907986D+00  0.972540D+00  0.663795D-01  0.105773D+01 -0.744928D+00
      3   0.180010D+01 -0.869713D+01  0.105773D+01 -0.611220D+01  0.285360D+01
                56            57            58            59            60 
      1  -0.744928D+00  0.285360D+01 -0.891691D+01  0.198692D+01 -0.292112D+01
      2   0.372700D+00 -0.424497D+00  0.198692D+01 -0.204418D+01  0.291239D+01
      3  -0.424497D+00  0.111965D+01 -0.292112D+01  0.291239D+01 -0.181456D+01
                61            62            63            64            65 
      1   0.261025D+02 -0.506923D+00  0.995393D+01  0.687566D+01 -0.534427D+01
      2  -0.506923D+00  0.161862D+01 -0.142451D+01 -0.534427D+01 -0.148975D+01
      3   0.995393D+01 -0.142451D+01  0.111204D+02 -0.191470D+01  0.950657D+00
                66            67            68            69            70 
      1  -0.191470D+01 -0.550460D+01 -0.113193D+01  0.117679D+01 -0.498544D+01
      2   0.950657D+00 -0.113193D+01 -0.434498D+00 -0.252625D+01  0.143725D+01
      3   0.126899D+01  0.117679D+01 -0.252625D+01  0.110030D+01  0.165360D+01
                71            72            73            74            75 
      1   0.143725D+01  0.165360D+01  0.459768D+00  0.866278D+00 -0.104777D+01
      2  -0.280142D+01  0.123038D+00  0.866278D+00 -0.376424D+01 -0.177096D+01
      3   0.123038D+00  0.631945D+01 -0.104777D+01 -0.177096D+01  0.294220D+01
                76            77            78            79            80 
      1   0.157241D+01 -0.448072D+01 -0.264152D+01 -0.191934D+01 -0.249193D+01
      2  -0.448072D+01 -0.281383D+01 -0.111495D+01 -0.249193D+01 -0.144949D+01
      3  -0.264152D+01 -0.111495D+01 -0.601997D+00  0.435150D+01 -0.217192D+00
                81            82            83            84            85 
      1   0.435150D+01 -0.923515D+01 -0.698806D+01 -0.117937D+01 -0.821167D+01
      2  -0.217192D+00 -0.698806D+01 -0.193076D+01  0.901442D+00 -0.392721D+01
      3   0.213697D+01 -0.117937D+01  0.901442D+00 -0.537241D+00  0.507413D+00
                86            87            88            89            90 
      1  -0.392721D+01  0.507413D+00  0.561231D+01  0.202509D+01 -0.201244D+00
      2   0.112922D+01  0.106908D+01  0.202509D+01  0.216580D+01  0.447965D+01
      3   0.106908D+01  0.333753D+01 -0.201244D+00  0.447965D+01 -0.525578D+00
                91            92            93            94            95 
      1  -0.174758D+01  0.141419D+01 -0.445365D+01  0.257900D+01 -0.336926D+00
      2   0.141419D+01  0.100556D+01 -0.992539D+00 -0.336926D+00 -0.419634D+01
      3  -0.445365D+01 -0.992539D+00 -0.116407D+01 -0.891795D+00  0.337130D+01
                96            97            98            99           100 
      1  -0.891795D+00 -0.731141D+01 -0.902746D+00 -0.335716D+01 -0.454506D+01
      2   0.337130D+01 -0.902746D+00  0.263619D+01  0.103043D+01 -0.197004D+00
      3   0.154175D+01 -0.335716D+01  0.103043D+01  0.404016D+01 -0.243518D+01
               101           102           103           104           105 
      1  -0.197004D+00 -0.243518D+01  0.724957D+00 -0.471714D+00  0.695837D+00
      2  -0.463543D+00  0.124119D+00 -0.471714D+00  0.515118D+00 -0.629688D+00
      3   0.124119D+00 -0.239170D+01  0.695837D+00 -0.629688D+00  0.652495D+00
               106           107           108           109           110 
      1  -0.422084D+01  0.234522D+00 -0.396199D+01 -0.729528D+01 -0.187540D+01
      2   0.234522D+00 -0.139230D+01 -0.116323D+00 -0.187540D+01 -0.106049D+01
      3  -0.396199D+01 -0.116323D+00 -0.504941D+01  0.246232D+01  0.749061D+00
               111           112           113           114           115 
      1   0.246232D+01 -0.161333D+01 -0.132631D+01  0.857730D+00  0.510949D+01
      2   0.749061D+00 -0.132631D+01 -0.108490D+01  0.832261D+00  0.149959D+01
      3  -0.209153D+01  0.857730D+00  0.832261D+00 -0.537481D+00 -0.335659D+01
               116           117           118           119           120 
      1   0.149959D+01 -0.335659D+01  0.408777D+00  0.438678D+00 -0.864795D+00
      2   0.158131D+01 -0.792922D+00  0.438678D+00 -0.279239D+00 -0.210253D+00
      3  -0.792922D+00  0.257531D+01 -0.864795D+00 -0.210253D+00  0.342448D+00
               121           122           123           124           125 
      1   0.158995D+01 -0.629164D+00 -0.785328D-01 -0.125191D+01 -0.225398D-01
      2  -0.629164D+00  0.614611D+00 -0.982634D+00 -0.225398D-01 -0.147991D+01
      3  -0.785328D-01 -0.982634D+00  0.140672D+01 -0.224195D+00  0.912510D+00
               126           127           128           129           130 
      1  -0.224195D+00  0.865452D+00 -0.884925D-01  0.677492D+00  0.196757D+00
      2   0.912510D+00 -0.884925D-01  0.119401D+01 -0.533611D+00  0.396237D+00
      3  -0.676662D+01  0.677492D+00 -0.533611D+00  0.620721D+00 -0.244955D+00
               131           132           133           134           135 
      1   0.396237D+00 -0.244955D+00  0.130853D+01 -0.242574D+00  0.135865D+00
      2  -0.413295D+01  0.171388D+01 -0.242574D+00  0.336763D+01 -0.269147D+01
      3   0.171388D+01 -0.189135D+01  0.135865D+00 -0.269147D+01  0.337913D+01
               136           137           138           139           140 
      1   0.129923D+01 -0.354819D+00 -0.582604D+00  0.991661D+00 -0.683550D+00
      2  -0.354819D+00  0.296156D+00 -0.335327D-01 -0.683550D+00 -0.633760D+01
      3  -0.582604D+00 -0.335327D-01  0.987677D-01 -0.448009D+00 -0.310873D+01
               141           142           143           144           145 
      1  -0.448009D+00 -0.235067D+01 -0.120500D+01 -0.674138D+00  0.488101D+00
      2  -0.310873D+01 -0.120500D+01 -0.512199D+01 -0.405700D+01 -0.352303D+00
      3  -0.253877D+01 -0.674138D+00 -0.405700D+01 -0.389409D+01  0.869818D+00
               146           147           148           149           150 
      1  -0.352303D+00  0.869818D+00 -0.702152D+00  0.584805D+00 -0.767482D-01
      2   0.625743D+00 -0.302217D+00  0.584805D+00 -0.409823D+01  0.231767D+01
      3  -0.302217D+00  0.465526D+00 -0.767482D-01  0.231767D+01 -0.345114D+01
               151           152           153           154           155 
      1   0.735875D+00 -0.241202D+00  0.110557D+00 -0.642109D+01  0.241477D+01
      2  -0.241202D+00  0.198729D+01 -0.186270D+01  0.241477D+01 -0.170953D+01
      3   0.110557D+00 -0.186270D+01  0.271266D+01  0.363689D+01 -0.140783D+01
               156           157           158           159           160 
      1   0.363689D+01  0.201779D+01 -0.145198D+01 -0.126687D+01  0.179565D+01
      2  -0.140783D+01 -0.145198D+01  0.155120D+01  0.160010D+01 -0.917546D+00
      3  -0.360131D+01 -0.126687D+01  0.160010D+01  0.150772D+01 -0.232188D+01
               161           162           163           164           165 
      1  -0.917546D+00 -0.232188D+01  0.347378D+01  0.188921D+01  0.127489D+01
      2   0.101930D+01  0.103707D+01  0.188921D+01  0.242110D+01  0.115809D+01
      3   0.103707D+01  0.250357D+01  0.127489D+01  0.115809D+01  0.207302D+01
               166           167           168           169           170 
      1   0.167009D+01  0.155055D+01  0.619313D+00  0.413685D+00  0.447978D+00
      2   0.155055D+01  0.286680D+01  0.178416D+01  0.447978D+00  0.938433D+00
      3   0.619313D+00  0.178416D+01  0.176301D+01  0.808521D+00  0.869580D+00
               171           172           173           174           175 
      1   0.808521D+00  0.239350D+01  0.216676D+01  0.395598D+00  0.174074D+01
      2   0.869580D+00  0.216676D+01  0.422526D+01 -0.177682D+00  0.170345D+01
      3   0.113227D+01  0.395598D+00 -0.177682D+00  0.908047D+00  0.787150D-02
               176           177           178           179           180 
      1   0.170345D+01  0.787150D-02  0.741208D+00 -0.574007D-01  0.276502D+00
      2   0.518961D+01  0.230829D+00 -0.574007D-01  0.112912D+01  0.740563D+00
      3   0.230829D+00  0.679762D+00  0.276502D+00  0.740563D+00 -0.224183D+00
               181           182           183           184           185 
      1  -0.734546D+01  0.436146D+01  0.113806D+01  0.196093D+01 -0.255372D+01
      2   0.436146D+01 -0.332297D+01 -0.514835D+00 -0.255372D+01  0.305540D+01
      3   0.113806D+01 -0.514835D+00 -0.144823D+01 -0.654236D+00  0.722961D+00
               186           187           188           189           190 
      1  -0.654236D+00  0.309885D+01 -0.156511D+01 -0.139294D+01 -0.123085D+01
      2   0.722961D+00 -0.156511D+01  0.201370D+01  0.812224D+00  0.736794D+00
      3   0.486035D+00 -0.139294D+01  0.812224D+00  0.588320D+00 -0.932123D+00
               191           192           193           194           195 
      1   0.736794D+00 -0.932123D+00  0.234440D+00  0.654882D-01 -0.150773D+00
      2  -0.769455D-01  0.664613D-01  0.654882D-01 -0.234284D+00 -0.594411D+00
      3   0.664613D-01 -0.997357D+00 -0.150773D+00 -0.594411D+00 -0.503811D+00
               196           197           198           199           200 
      1  -0.140056D+01  0.438311D+00 -0.187202D+01 -0.173217D+01 -0.496123D+00
      2   0.438311D+00 -0.167755D+01  0.120905D+01 -0.496123D+00  0.181467D-01
      3  -0.187202D+01  0.120905D+01 -0.804025D+01  0.803934D+00 -0.760434D-01
               201           202           203           204           205 
      1   0.803934D+00 -0.137236D+01  0.977198D+00  0.389214D+00  0.201771D+01
      2  -0.760434D-01  0.977198D+00 -0.754171D+00  0.110785D+01  0.548919D+00
      3   0.327178D-01  0.389214D+00  0.110785D+01 -0.127507D+01 -0.454693D+00
               206           207           208           209           210 
      1   0.548919D+00 -0.454693D+00  0.140603D+01  0.663755D+00 -0.113209D+01
      2   0.141887D+01 -0.126690D+01  0.663755D+00  0.553203D-01 -0.530019D-01
      3  -0.126690D+01  0.466174D+01 -0.113209D+01 -0.530019D-01 -0.276466D+00
               211           212           213           214           215 
      1   0.100550D+01 -0.262405D+00 -0.750102D+00 -0.185094D+01 -0.592043D+00
      2  -0.262405D+00  0.596171D+00 -0.924071D+00 -0.592043D+00 -0.135149D+01
      3  -0.750102D+00 -0.924071D+00  0.189604D+01  0.949606D+00  0.176818D+01
               216           217           218           219           220 
      1   0.949606D+00  0.255917D+01 -0.759792D+00 -0.556854D+00 -0.232872D+01
      2   0.176818D+01 -0.759792D+00  0.198129D+00  0.464879D+00  0.105498D+01
      3  -0.627738D+01 -0.556854D+00  0.464879D+00  0.736975D+00  0.140552D+01
               221           222           223           224           225 
      1   0.105498D+01  0.140552D+01 -0.347975D+01  0.270669D+00  0.323362D+01
      2  -0.139058D+01 -0.209760D+01  0.270669D+00 -0.212511D+01 -0.163810D+01
      3  -0.209760D+01 -0.283387D+01  0.323362D+01 -0.163810D+01 -0.653929D+01
               226           227           228           229           230 
      1   0.926225D+01  0.236702D+00  0.219615D+01 -0.573571D+00  0.110231D+01
      2   0.236702D+00  0.107727D+01  0.175599D+00  0.110231D+01  0.339083D+00
      3   0.219615D+01  0.175599D+00  0.161524D+01  0.109868D+00  0.981279D-01
               231           232           233           234           235 
      1   0.109868D+00  0.500027D+01  0.387041D+00  0.204829D+01  0.931000D+00
      2   0.981279D-01  0.387041D+00  0.651115D+00 -0.570478D-01  0.596330D+00
      3  -0.276634D+00  0.204829D+01 -0.570478D-01  0.155022D+01  0.425290D+00
               236           237           238           239           240 
      1   0.596330D+00  0.425290D+00  0.333977D+01  0.191776D+01 -0.796105D+00
      2  -0.645936D+00  0.397113D+00  0.191776D+01  0.753226D+01 -0.258122D+01
      3   0.397113D+00 -0.273401D+00 -0.796105D+00 -0.258122D+01  0.191121D+01
               241           242           243 
      1  -0.103842D+01 -0.451329D+00  0.132353D+01
      2  -0.451329D+00 -0.197899D+01  0.149723D+01
      3   0.132353D+01  0.149723D+01 -0.215800D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.562432D+01 -0.439155D+01  0.899909D+00 -0.365987D+01  0.669202D+01
      2   0.627721D+01  0.753811D+01  0.847945D+01  0.613206D+01  0.115195D+02
      3  -0.800620D+01 -0.892416D+01 -0.162171D+01 -0.428797D+01  0.139480D+01
                 6             7             8             9            10 
      1  -0.123525D+02 -0.867114D-01 -0.569986D+01  0.623231D+00 -0.191792D+01
      2  -0.377398D+01  0.145041D+01 -0.232702D+01 -0.794558D+01 -0.195017D+02
      3  -0.606873D+01 -0.296219D+00 -0.580416D+01  0.184077D+01  0.161041D+02
                11            12            13            14            15 
      1   0.233289D+01  0.943128D+00  0.413384D+01 -0.482835D+01 -0.360778D+01
      2   0.154927D+01  0.752737D+01  0.329345D+01 -0.935941D+01 -0.604286D+00
      3   0.418047D+01  0.230852D+01  0.140176D+02  0.637885D+01  0.645367D+01
                16            17            18            19            20 
      1   0.221686D+01  0.676062D+01  0.324101D+01 -0.835575D-01 -0.145850D+01
      2   0.773694D+01 -0.113364D+01  0.961572D+01  0.267628D+02  0.964273D+00
      3  -0.447050D+01  0.678452D+01 -0.390455D-01 -0.219606D+02 -0.639749D+01
                21            22            23            24            25 
      1  -0.102018D+01 -0.776917D+01 -0.266319D+01 -0.286766D+01 -0.296509D+01
      2   0.247404D+01 -0.227152D+01  0.651265D+01  0.459128D+01 -0.147212D+02
      3  -0.630503D+00  0.259865D+01 -0.674204D+01 -0.185476D+01  0.806873D-01
                26            27            28            29            30 
      1   0.190353D+01  0.471533D+01  0.399058D+01 -0.558532D+00 -0.434851D-01
      2   0.315274D+01 -0.313746D+01 -0.369723D+02 -0.366842D+01 -0.375200D+01
      3  -0.295996D+01 -0.172184D+01  0.193497D+02  0.647214D+01  0.104692D+01
                31            32            33            34            35 
      1   0.400747D+01  0.262142D+01 -0.248944D+01  0.229848D+01  0.182080D+00
      2  -0.126724D+02 -0.391070D+01 -0.115798D+01 -0.135790D+02 -0.171687D+01
      3   0.345659D+02  0.693613D+01 -0.912075D-01  0.261732D+01  0.132216D+01
                36            37            38            39            40 
      1  -0.402172D+01 -0.287862D+01 -0.737398D+00 -0.619252D+00 -0.748449D+01
      2  -0.129393D+01  0.441462D+02  0.316870D+01  0.124625D+02  0.137707D+02
      3   0.120309D+00 -0.159310D+02 -0.105551D+02 -0.141281D+01 -0.814837D+01
                41            42            43            44            45 
      1  -0.416109D+00 -0.479256D+01  0.174650D+01 -0.162473D+00 -0.957283D+00
      2   0.277769D+01 -0.156578D+01 -0.130633D+02 -0.368171D+01  0.594339D+01
      3  -0.603668D+01  0.786465D+00 -0.348214D+00 -0.120785D+01  0.124193D+01
                46            47            48            49            50 
      1   0.202355D+00  0.198248D+01  0.244707D+01 -0.615411D+01  0.408274D+01
      2  -0.127397D+02 -0.321578D+01 -0.416111D+01  0.627073D+01 -0.253937D+01
      3   0.772924D+00  0.116570D+02  0.498086D+01  0.234279D+02  0.909354D+00
                51            52            53            54            55 
      1  -0.713324D+01  0.220963D+01 -0.389903D+01 -0.278184D+01  0.122917D+01
      2   0.719956D+01 -0.497179D+02  0.110559D+01 -0.284243D+02  0.245485D+01
      3   0.246365D+01  0.498669D+01  0.871854D+01 -0.208514D+01  0.952917D-01
                56            57            58            59            60 
      1  -0.312976D+00 -0.454470D+00  0.101774D+00 -0.290393D+01 -0.170269D+01
      2  -0.109758D+01  0.734799D+01 -0.911145D+01  0.886850D+01 -0.913516D+01
      3  -0.733766D+01 -0.320625D-01 -0.676666D+01  0.672702D+01 -0.802210D+01
                61            62            63            64            65 
      1  -0.142800D+01  0.894111D+01  0.689300D+00  0.805279D+01 -0.156672D+01
      2   0.299424D+02 -0.465005D+01  0.442736D+02  0.862266D+01 -0.631426D+01
      3  -0.442442D+01 -0.127135D+02  0.340767D+01 -0.987353D+01 -0.192606D+02
                66            67            68            69            70 
      1  -0.383774D+01 -0.178331D+01  0.705831D+01 -0.173692D+01 -0.665308D+01
      2  -0.228467D+01 -0.571258D+01  0.525196D+01 -0.173914D+01 -0.914641D+01
      3  -0.170752D+01 -0.954066D+01 -0.582117D+01 -0.426084D+01  0.208310D+00
                71            72            73            74            75 
      1   0.453944D+01 -0.149472D+02 -0.383227D+00 -0.163784D+01  0.344753D+01
      2   0.780497D+00 -0.147890D+02  0.445527D+01  0.771324D+01 -0.956095D+01
      3  -0.438941D+01  0.359668D+01  0.538912D+01 -0.206823D+02 -0.739772D+01
                76            77            78            79            80 
      1  -0.164238D+01 -0.359546D+00 -0.242072D+01  0.503489D+01  0.193855D+01
      2   0.103169D+02  0.261289D+01  0.542199D+00 -0.217581D+02 -0.152819D+01
      3  -0.141553D+02 -0.474036D+01 -0.231474D+01 -0.843684D+01 -0.153655D+01
                81            82            83            84            85 
      1   0.203614D+01  0.187827D+01  0.424939D+01 -0.192418D+01  0.564884D+01
      2  -0.548804D+01 -0.526568D+01 -0.655798D+01  0.214006D+01 -0.855852D+01
      3  -0.472255D+01 -0.612669D+01  0.774710D+01  0.289063D+01  0.191687D+02
                86            87            88            89            90 
      1   0.422434D+01  0.615339D+01 -0.251516D+01  0.147743D+02 -0.320331D+01
      2  -0.454231D+01 -0.507856D+01  0.278233D+00 -0.609526D+01  0.129616D+01
      3   0.764630D+01 -0.117160D+00  0.326831D+01 -0.864648D-01  0.931276D+01
                91            92            93            94            95 
      1   0.475355D+00 -0.226941D+01  0.100429D+01  0.578586D+01  0.268716D+01
      2  -0.187101D+02 -0.245988D+01 -0.464911D+01 -0.303840D+01  0.144549D+02
      3  -0.721573D+01 -0.102211D+02  0.214459D+01  0.119487D+02  0.198023D+02
                96            97            98            99           100 
      1  -0.785889D+01  0.457143D+01 -0.596125D+00 -0.378673D+01 -0.191596D+01
      2   0.758663D+01 -0.232261D+02  0.350860D+01  0.146464D+02  0.529981D+01
      3  -0.189683D+02  0.374170D+01 -0.102861D+02 -0.701446D+01  0.329918D+01
               101           102           103           104           105 
      1   0.110439D+01 -0.206816D+01  0.594762D+00 -0.118667D+01  0.197272D-01
      2  -0.843640D+00  0.883819D+01 -0.202519D+01  0.195920D+01 -0.208095D+01
      3  -0.254890D+01  0.271160D+01 -0.194725D+00  0.287278D+01 -0.259223D+01
               106           107           108           109           110 
      1  -0.327928D+01  0.292860D+01 -0.420996D+01  0.267578D+01 -0.146782D+00
      2   0.916767D+01  0.121280D+00  0.162128D+02 -0.948297D+01 -0.297638D+01
      3   0.464139D+01 -0.614281D+01  0.317440D+01  0.116471D+01 -0.439846D+01
               111           112           113           114           115 
      1  -0.261404D+01  0.144454D+01  0.551695D+00 -0.154314D+01 -0.300291D+01
      2   0.101369D+02 -0.349386D+01 -0.325838D+01  0.250776D+01  0.107831D+02
      3   0.221202D+00 -0.430946D+00 -0.265753D+01  0.200032D+01  0.487625D+00
               116           117           118           119           120 
      1   0.847620D+00  0.310577D+01 -0.834870D+00 -0.700650D-02  0.176780D+00
      2   0.263913D+01 -0.112289D+02  0.286781D+01  0.481249D+00  0.407336D+00
      3   0.568016D+01  0.583271D+00  0.324831D+00 -0.954460D+00  0.438627D+00
               121           122           123           124           125 
      1  -0.125947D+01 -0.162847D+01  0.353244D+00 -0.566274D+00  0.428123D+01
      2   0.112192D+01  0.127958D+00 -0.167298D+01 -0.400476D+01 -0.793655D+00
      3   0.213297D+01  0.486205D+00 -0.488218D+00  0.653398D+00 -0.104184D+01
               126           127           128           129           130 
      1  -0.351590D+01  0.218421D+01 -0.133172D+01  0.218123D+01 -0.102977D+01
      2   0.643360D+01 -0.115446D+01  0.113395D+01 -0.876195D-01  0.150466D+01
      3   0.104352D+01 -0.247588D+01  0.101419D+01 -0.270074D+01  0.221344D+01
               131           132           133           134           135 
      1   0.455685D+01 -0.646289D+01  0.743678D+00 -0.541202D+01  0.108008D+02
      2  -0.274230D+01  0.300505D+01 -0.171566D+01  0.450961D+01 -0.557763D+01
      3  -0.822283D+01  0.382276D+01 -0.473980D+01  0.652591D+01 -0.592757D+01
               136           137           138           139           140 
      1  -0.153073D+01 -0.521602D+00  0.316955D+00 -0.550092D+00 -0.220297D+01
      2   0.182430D+01 -0.270188D-01  0.352283D+00  0.723453D-01  0.494470D+01
      3  -0.140176D+01  0.262513D+00  0.113520D+01  0.187758D+01 -0.108787D+02
               141           142           143           144           145 
      1  -0.614850D+01  0.105089D+00 -0.401180D+01 -0.747179D+01 -0.146112D+01
      2   0.437757D+01 -0.233576D+01  0.624668D+01  0.630685D+01 -0.404997D+01
      3  -0.502835D+01  0.265431D+01 -0.781359D+01 -0.692384D+01 -0.753692D+00
               146           147           148           149           150 
      1   0.228321D+01 -0.567540D+00  0.196269D+01 -0.125178D+02  0.402962D+01
      2   0.171820D+01 -0.159740D+01  0.364766D+01 -0.644826D+01  0.709533D+01
      3   0.412183D+00 -0.665770D-02  0.272985D+01 -0.673169D+01  0.373651D+01
               151           152           153           154           155 
      1  -0.620629D+00  0.672044D+01 -0.456005D+01  0.199581D+01 -0.333572D+01
      2  -0.327374D+01  0.447225D+01 -0.551885D+01  0.466126D+01 -0.131964D+01
      3  -0.583094D+00  0.307789D+01 -0.317820D+01  0.471809D+00 -0.403397D+01
               156           157           158           159           160 
      1   0.852931D+00 -0.173865D+01  0.192154D+01  0.446649D+00 -0.577007D+00
      2   0.392844D+01 -0.265872D+01 -0.112121D+01 -0.158438D+01 -0.224646D+01
      3  -0.711832D+00 -0.410721D+00  0.291899D+01  0.240546D+01  0.418810D+00
               161           162           163           164           165 
      1   0.276075D+01 -0.271248D+00  0.261107D+01  0.463989D+01 -0.668063D+00
      2  -0.606526D-01 -0.133471D+01 -0.123721D+02 -0.680303D+01 -0.513488D+01
      3   0.210497D+01  0.444856D+00  0.856151D+01  0.467354D+01  0.319469D+01
               166           167           168           169           170 
      1   0.267785D+01  0.425904D+01 -0.138613D-01  0.281852D+00  0.256410D+01
      2  -0.646483D+01 -0.735874D+01 -0.386906D+01 -0.445660D+01 -0.293584D+01
      3   0.646456D+01  0.596751D+01  0.398223D+01  0.142785D+01  0.181066D+01
               171           172           173           174           175 
      1   0.679996D+00 -0.233000D+01 -0.183859D+01 -0.333537D+01 -0.131313D+01
      2  -0.375443D+01  0.116279D+01  0.186373D+01 -0.116684D+00  0.141678D+01
      3   0.268152D+01  0.146483D+02  0.141714D+02  0.695959D+00  0.107863D+02
               176           177           178           179           180 
      1  -0.350469D+01 -0.356350D+01 -0.744576D+00 -0.732093D+00 -0.443243D-01
      2   0.104638D+01 -0.664159D+00 -0.111610D+01 -0.153044D+01  0.715839D+00
      3   0.171550D+02  0.637983D+00  0.154928D+01  0.254710D+01  0.259019D+01
               181           182           183           184           185 
      1  -0.492149D+01  0.274198D+01  0.476830D+01  0.306601D+01 -0.322209D+01
      2  -0.644845D+01  0.357989D+01  0.688265D+01  0.290398D+01 -0.337408D+01
      3  -0.306878D+01 -0.308845D+01  0.131680D+01  0.213251D+01  0.389666D+01
               186           187           188           189           190 
      1  -0.288050D+01  0.341722D+01 -0.121895D+01 -0.202192D+01  0.127582D+01
      2  -0.261118D+01  0.414651D+01 -0.250162D+01 -0.282910D+01  0.136814D+01
      3   0.617749D+00  0.557608D+00  0.345836D+01 -0.525247D+00  0.484487D+00
               191           192           193           194           195 
      1   0.169797D+00  0.222503D+01 -0.100164D+00  0.200672D+01  0.410725D+00
      2   0.160628D+00  0.255704D+01  0.137627D+00  0.147416D+01  0.120230D+01
      3   0.181290D+00 -0.138930D+01  0.100592D+01 -0.636416D+00 -0.147287D+01
               196           197           198           199           200 
      1   0.338410D+01  0.256918D+01  0.166512D+02 -0.842417D-01  0.474345D+00
      2   0.517324D+00 -0.235776D+01  0.185882D+02 -0.191443D+00 -0.484259D+00
      3  -0.196117D+01 -0.404509D+01  0.588504D+00  0.150044D+01 -0.661687D-01
               201           202           203           204           205 
      1  -0.138649D+00  0.518019D+01  0.696792D-03 -0.147804D+01  0.920437D+00
      2  -0.432208D+00  0.175934D+01  0.168534D+01 -0.164254D-01 -0.390298D+01
      3  -0.521148D+00  0.817456D+00  0.331908D+00 -0.844613D+00 -0.255196D+01
               206           207           208           209           210 
      1   0.256641D+01  0.388107D+01 -0.162292D+01  0.615064D-01  0.284177D-01
      2   0.659150D+00  0.321676D+01 -0.123111D+01  0.423073D+00 -0.829358D+00
      3  -0.150136D+01  0.351191D+00 -0.287302D+01 -0.579779D+00  0.485594D-01
               211           212           213           214           215 
      1   0.612740D+01 -0.593172D+00 -0.285609D-01  0.217573D+01  0.436944D+01
      2  -0.134876D+01 -0.201014D+01  0.300145D+01 -0.292280D+01  0.274977D+01
      3   0.902283D+01 -0.330559D+00  0.197224D+01  0.315436D+01  0.326307D+01
               216           217           218           219           220 
      1  -0.241330D+00  0.351432D+00 -0.508024D+00 -0.804486D+00 -0.218924D+01
      2  -0.103564D+02  0.443494D-01  0.132144D+01  0.368284D+01  0.405437D+01
      3  -0.346683D+01  0.161669D+01 -0.251439D+01 -0.189184D+01 -0.694453D+01
               221           222           223           224           225 
      1   0.282095D+01  0.247447D+01 -0.259748D+01  0.424833D+01  0.487582D+01
      2  -0.817715D+01 -0.117132D+02  0.902036D+01 -0.703179D+01 -0.256721D+02
      3   0.633291D+01  0.104966D+02 -0.400871D+01  0.918451D+01  0.997273D+01
               226           227           228           229           230 
      1  -0.151312D+01 -0.104417D+00 -0.106471D+01 -0.864520D+00 -0.336578D+00
      2   0.158715D+02  0.863612D+00  0.110439D+02  0.278985D+00  0.816558D+00
      3   0.300518D+01 -0.646706D+01  0.512156D+00 -0.276493D+01 -0.770833D+00
               231           232           233           234           235 
      1  -0.523398D+00 -0.118937D+01  0.828698D+00 -0.704529D+00  0.179466D+00
      2  -0.108115D+01  0.977716D+01 -0.235055D+00  0.892290D+01  0.100434D+01
      3  -0.552506D+00  0.537308D+00 -0.352609D+01  0.106550D+01  0.322657D-01
               236           237           238           239           240 
      1   0.686903D+00 -0.131254D+00 -0.189615D+01 -0.566815D+01 -0.390646D+00
      2   0.183679D+01  0.452548D+00  0.674698D+00 -0.921029D+01  0.723921D+01
      3   0.334264D+01 -0.217259D+01 -0.635994D+01 -0.333234D+02  0.120028D+02
               241           242           243 
      1  -0.140608D-01  0.192349D+01 -0.104288D-01
      2   0.346057D+01  0.576973D+01 -0.752361D+01
      3   0.835968D+00  0.857697D+01 -0.641108D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.111561D+01  0.179864D+02  0.167490D+02  0.161255D+02  0.122874D+02
      2   0.220832D+01 -0.147665D+02 -0.121549D+02 -0.133887D+02  0.438782D+01
      3  -0.332393D+01 -0.321986D+01 -0.459415D+01 -0.273680D+01 -0.166752D+02
      4   0.193531D+02 -0.232072D+01 -0.112473D+02 -0.921444D+00 -0.975413D+01
      5   0.237092D+02 -0.169305D+02 -0.185517D+02 -0.180033D+02  0.967659D+01
      6  -0.171728D+02 -0.477923D+01  0.501606D+01 -0.305075D+01  0.216817D+01
                 6             7             8             9            10 
      1  -0.515522D+01  0.124879D+02 -0.527294D+01 -0.139742D+02 -0.206558D+02
      2  -0.286699D+01 -0.796577D+01 -0.373508D+01 -0.207540D+01  0.218357D+02
      3   0.802221D+01 -0.452211D+01  0.900802D+01  0.160496D+02 -0.117989D+01
      4   0.140744D+02 -0.112609D+02  0.127249D+02  0.540161D+00 -0.346662D+02
      5  -0.514027D+00 -0.165228D+02  0.699801D+00 -0.744351D+01 -0.114293D+02
      6  -0.121187D+02  0.455085D+01 -0.104238D+02  0.780305D+01  0.527621D+01
                11            12            13            14            15 
      1  -0.199157D+02 -0.698178D+01 -0.243642D+02 -0.232656D+02 -0.451847D+01
      2   0.125763D+02  0.329499D+01  0.153379D+02  0.774032D+01  0.677161D+01
      3   0.733933D+01  0.368679D+01  0.902632D+01  0.155253D+02 -0.225315D+01
      4  -0.135492D+01  0.386377D+01 -0.149229D+01 -0.463024D+01 -0.145346D+02
      5   0.241579D+01  0.915809D+01  0.444052D+01 -0.123650D+02  0.157176D+01
      6  -0.375781D+01 -0.981774D+00 -0.193090D+01  0.109146D+02  0.282033D+00
                16            17            18            19            20 
      1   0.211086D+01 -0.358372D+01  0.110362D+02  0.625794D+02  0.863493D+01
      2  -0.921029D+01  0.919670D+01 -0.455951D+01 -0.617809D+02 -0.104629D+02
      3   0.709943D+01 -0.561298D+01 -0.647673D+01 -0.798507D+00  0.182800D+01
      4   0.784995D+01 -0.178666D+02 -0.202393D+01  0.540829D+01 -0.150819D+02
      5   0.107056D+02 -0.775561D+00  0.186263D+02 -0.721524D+01 -0.370528D+01
      6  -0.279297D+01 -0.902401D+00 -0.910091D+01 -0.133737D+02 -0.366925D+01
                21            22            23            24            25 
      1   0.319554D+01  0.105139D+02  0.906259D+01 -0.167000D+01  0.219293D+01
      2  -0.431930D+01 -0.147230D+02 -0.109243D+02 -0.390478D+01  0.857886D+00
      3   0.112375D+01  0.420903D+01  0.186170D+01  0.557478D+01 -0.305082D+01
      4  -0.371203D+01 -0.315106D+02 -0.537424D+01  0.372085D+01 -0.836913D+01
      5   0.777411D+00 -0.823078D+01  0.205384D+00  0.502803D+01 -0.332905D+01
      6  -0.121080D+01 -0.774177D+01 -0.385085D+01  0.163527D+01 -0.134330D+01
                26            27            28            29            30 
      1  -0.159722D+01  0.749758D+01 -0.131015D+03 -0.619888D+01 -0.466687D+01
      2  -0.446795D+01  0.107154D+02  0.964351D+02  0.468060D+01  0.277281D+01
      3   0.606517D+01 -0.182130D+02  0.345803D+02  0.151828D+01  0.189406D+01
      4   0.595254D+01  0.486814D+01  0.251474D+01 -0.769337D+01 -0.956041D+00
      5   0.331946D+01 -0.690029D+01  0.493619D+01 -0.990965D+00 -0.100157D+02
      6   0.343860D+01  0.234367D+01  0.171806D+02  0.437031D+01  0.134759D+01
                31            32            33            34            35 
      1  -0.310612D+02 -0.261800D+02 -0.795056D+01  0.289644D+02 -0.436926D+01
      2   0.270255D+02  0.245798D+02  0.442951D+01 -0.168811D+02  0.498760D+01
      3   0.403573D+01  0.160027D+01  0.352105D+01 -0.120833D+02 -0.618344D+00
      4  -0.853764D+01 -0.849990D+01 -0.204859D+01 -0.105728D+01 -0.890501D+00
      5  -0.102711D+01 -0.460118D+00 -0.234629D+01  0.117078D+01  0.166722D+01
      6   0.278178D+01  0.647246D+01  0.401602D+01 -0.674232D+00 -0.439294D+00
                36            37            38            39            40 
      1  -0.392552D+01  0.157187D+03  0.106430D+02  0.951433D+01  0.325235D+02
      2  -0.938533D+00 -0.110635D+03 -0.669240D+01 -0.627639D+01 -0.167535D+02
      3   0.486405D+01 -0.465517D+02 -0.395056D+01 -0.323794D+01 -0.157700D+02
      4   0.209602D+01 -0.505223D+01  0.149513D+02  0.583270D+00  0.309332D+02
      5  -0.172904D+01  0.124373D+02  0.216956D+01  0.189407D+02  0.648756D+01
      6   0.534014D+01 -0.180410D+02 -0.435774D+01 -0.280835D+01 -0.113949D+02
                41            42            43            44            45 
      1   0.410349D+01 -0.243548D+01 -0.306474D+02 -0.814250D+01  0.131492D+02
      2   0.276198D+01 -0.343304D+01  0.201345D+02  0.306851D+01 -0.236713D+01
      3  -0.686547D+01  0.586853D+01  0.105130D+02  0.507399D+01 -0.107821D+02
      4   0.721714D+01 -0.326192D+01  0.254168D+01 -0.211165D+01 -0.662549D+01
      5  -0.272401D+01 -0.501128D+01  0.262494D+02 -0.455783D+01  0.762751D+01
      6  -0.103412D+01  0.475235D+01 -0.200496D+01  0.269244D+01  0.589673D+01
                46            47            48            49            50 
      1  -0.651452D+02 -0.489925D+01  0.539929D+01  0.604940D+01 -0.323998D+01
      2   0.467562D+02 -0.177231D+01  0.930376D-01 -0.925960D+01  0.673219D+01
      3   0.183890D+02  0.667157D+01 -0.549233D+01  0.321020D+01 -0.349221D+01
      4  -0.401703D+01 -0.152235D+02  0.401086D+01 -0.744330D+00  0.248290D+01
      5  -0.675998D+01  0.987068D+00 -0.145862D+02  0.237457D+02 -0.585793D+01
      6   0.120530D+02  0.135710D+01  0.514801D-01 -0.242889D+01  0.546693D+01
                51            52            53            54            55 
      1   0.791482D+01 -0.525127D+02  0.329922D+01 -0.162867D+02  0.322402D+02
      2  -0.943458D+01  0.466728D+02  0.175268D+01  0.208617D+02 -0.188019D+02
      3   0.151976D+01  0.583988D+01 -0.505190D+01 -0.457506D+01 -0.134383D+02
      4  -0.733591D+01  0.246740D+02 -0.799489D+01  0.110567D+02 -0.820604D+01
      5   0.944737D+01 -0.596525D+02  0.612140D+01 -0.454056D+02  0.220035D+02
      6   0.304722D+01  0.133494D+02 -0.594140D+01  0.745339D+01 -0.213335D+01
                56            57            58            59            60 
      1  -0.350081D+01  0.121359D+02 -0.260646D+02 -0.572441D+00 -0.270034D+01
      2   0.275892D+01 -0.813202D+01  0.162720D+02  0.149569D+01  0.311610D+01
      3   0.741889D+00 -0.400389D+01  0.979263D+01 -0.923252D+00 -0.415766D+00
      4   0.125763D+02 -0.480044D+01  0.235064D+02 -0.160024D+02  0.209263D+02
      5  -0.382604D+01  0.205985D+02 -0.182079D+02  0.202882D+02 -0.132471D+02
      6   0.194830D+01 -0.144972D+01  0.109372D+02 -0.853073D+01  0.134655D+02
                61            62            63            64            65 
      1   0.747286D+02  0.382810D+01  0.248765D+01 -0.190034D+01  0.345745D+02
      2  -0.572589D+02 -0.273074D+01 -0.315088D+02 -0.191837D+02 -0.240508D+02
      3  -0.174697D+02 -0.109736D+01  0.290211D+02  0.210841D+02 -0.105237D+02
      4  -0.142385D+02  0.182227D+02 -0.158142D+02  0.341405D+02 -0.177593D+02
      5   0.675357D+02 -0.101236D+02  0.774942D+02  0.867886D+01 -0.242939D+01
      6  -0.119283D+02  0.145749D+02 -0.958688D+01 -0.736580D+01  0.627138D+01
                66            67            68            69            70 
      1   0.104396D+02  0.305727D+02  0.422136D+01  0.109901D+00  0.959424D+01
      2  -0.510284D+00 -0.192996D+02 -0.410720D+01 -0.674371D+01  0.533165D+01
      3  -0.992930D+01 -0.112731D+02 -0.114157D+00  0.663381D+01 -0.149259D+02
      4  -0.119595D+02 -0.133777D+02 -0.653351D+01  0.144281D+02 -0.174535D+02
      5  -0.460250D+01 -0.385524D+01  0.140895D+02 -0.557689D+01 -0.639609D+01
      6   0.408122D+01  0.763171D+01 -0.124523D+02  0.517330D+01  0.546739D+01
                71            72            73            74            75 
      1  -0.209093D+01 -0.326872D+01 -0.739985D+01 -0.998480D+01  0.280767D+01
      2  -0.942423D+01  0.164475D+02  0.526635D+01  0.809395D+01  0.493381D+01
      3   0.115152D+02 -0.131788D+02  0.213350D+01  0.189086D+01 -0.774148D+01
      4   0.166785D+02  0.345772D+01 -0.777859D+01  0.111964D+02  0.106875D+02
      5  -0.905173D+00 -0.323042D+02  0.997978D+01  0.103586D+02 -0.246633D+02
      6   0.495014D+01  0.182351D+02  0.300471D+01  0.759130D+01 -0.268700D+01
                76            77            78            79            80 
      1  -0.120565D+02  0.306460D+02  0.173677D+02  0.968294D+01  0.179993D+02
      2   0.100864D+02 -0.142667D+02 -0.963509D+01  0.350944D+01 -0.103227D+02
      3   0.197007D+01 -0.163793D+02 -0.773259D+01 -0.131924D+02 -0.767659D+01
      4   0.233908D+02  0.197640D+02  0.903984D+01  0.197858D+02  0.121681D+02
      5   0.173873D+02  0.687302D+01  0.251157D+01 -0.361694D+02 -0.128625D+00
      6   0.678334D+01  0.140536D+01  0.721821D+00 -0.520949D+01  0.160422D+01
                81            82            83            84            85 
      1  -0.298889D+02 -0.373362D+02  0.641746D+01  0.544319D+01  0.982180D+01
      2   0.224798D+02  0.411382D+02  0.500646D+01 -0.597260D+01  0.380978D+01
      3   0.740915D+01 -0.380204D+01 -0.114239D+02  0.529412D+00 -0.136316D+02
      4  -0.458017D+01  0.231044D+02  0.180268D+02 -0.824733D+00  0.233915D+02
      5  -0.153009D+02  0.524659D+01  0.566859D+00  0.246369D+01 -0.890951D+00
      6   0.207675D+01  0.108720D+02 -0.221773D+01  0.253669D+01 -0.932620D+00
                86            87            88            89            90 
      1   0.632334D+01 -0.134018D+01  0.184590D+02  0.279713D+01  0.220358D+02
      2  -0.141818D+00  0.204037D+01 -0.189151D+02 -0.257353D+01 -0.242555D+02
      3  -0.618152D+01 -0.700192D+00  0.456076D+00 -0.223601D+00  0.221974D+01
      4   0.322574D+00 -0.691667D+01 -0.609863D+01 -0.120678D+02 -0.115069D+02
      5  -0.272409D+01 -0.104819D+02  0.234041D+01 -0.145525D+02  0.201992D+01
      6  -0.873048D+01 -0.185356D+02 -0.176140D+01 -0.280491D+02 -0.410101D+01
                91            92            93            94            95 
      1  -0.212376D+02  0.777557D+01 -0.381520D+02  0.177358D+02  0.119541D+02
      2   0.913189D+01 -0.191309D+01  0.181815D+02 -0.144989D+02 -0.112378D+02
      3   0.121057D+02 -0.586248D+01  0.199705D+02 -0.323684D+01 -0.716306D+00
      4   0.130472D+02  0.127038D+02 -0.104826D+02 -0.367322D+01 -0.307519D+02
      5  -0.432005D+02 -0.959801D+01 -0.297575D+01 -0.116840D+02  0.249355D+02
      6  -0.628278D+01 -0.418943D+01  0.224236D+01  0.261954D+01  0.962866D+01
                96            97            98            99           100 
      1  -0.916450D+01 -0.541499D+02 -0.787912D+01 -0.192620D+02  0.339935D+02
      2   0.154698D+02  0.251058D+02  0.110797D+02  0.150775D+02 -0.225036D+02
      3  -0.630531D+01  0.290441D+02 -0.320062D+01  0.418451D+01 -0.114899D+02
      4   0.270113D+02 -0.109690D+02  0.194399D+02  0.112184D+02  0.569101D+01
      5   0.176639D+02 -0.233432D+02  0.113805D+02  0.300824D+02  0.236310D+02
      6  -0.767094D+01  0.329676D+01 -0.430189D+01 -0.593923D+01  0.170575D+01
               101           102           103           104           105 
      1   0.143667D+01  0.156242D+02 -0.531411D+01  0.808156D+00 -0.475359D+01
      2  -0.269089D+00 -0.123133D+02  0.402409D+01 -0.135723D+01  0.407705D+01
      3  -0.116758D+01 -0.331094D+01  0.129002D+01  0.549079D+00  0.676542D+00
      4   0.517655D+01  0.941815D+00  0.553577D+01 -0.332599D+01  0.500138D+01
      5  -0.953166D+00  0.224879D+02 -0.593856D+01  0.596682D+01 -0.479211D+01
      6   0.114583D+01  0.245410D+01  0.198817D+01 -0.228136D+00  0.358994D+01
               106           107           108           109           110 
      1   0.270706D+02 -0.207694D+01  0.184080D+02  0.565047D+02  0.124661D+02
      2  -0.224116D+02  0.270035D+01 -0.223260D+02 -0.284890D+02 -0.439334D+01
      3  -0.465903D+01 -0.623414D+00  0.391802D+01 -0.280157D+02 -0.807278D+01
      4   0.259686D+01  0.894681D+01  0.377633D+01  0.242294D+02  0.128054D+02
      5   0.355762D+02  0.767258D+00  0.396477D+02 -0.213450D+02 -0.615613D+01
      6   0.376430D+01  0.417003D+01  0.491381D+01 -0.615783D+01 -0.298583D+01
               111           112           113           114           115 
      1  -0.166623D+02  0.114960D+02  0.416482D+01 -0.471578D+01 -0.339293D+02
      2   0.838997D+01 -0.353605D+01  0.166228D+01  0.145709D+01  0.177979D+02
      3   0.827229D+01 -0.795993D+01 -0.582710D+01  0.325870D+01  0.161314D+02
      4  -0.867914D+01  0.146640D+02  0.100040D+02 -0.778540D+01 -0.172540D+02
      5   0.186599D+02 -0.658284D+01 -0.701307D+01  0.419832D+01  0.281168D+02
      6   0.416628D+01 -0.375905D+01 -0.255991D+01  0.352926D+01  0.735542D+01
               116           117           118           119           120 
      1  -0.844843D+01  0.181690D+02  0.538725D+00 -0.403087D+00  0.251385D+01
      2   0.265594D+01 -0.133395D+02 -0.347301D+01  0.252633D+00  0.153769D+00
      3   0.579250D+01 -0.482952D+01  0.293429D+01  0.150454D+00 -0.266762D+01
      4  -0.137807D+02  0.963934D+01 -0.134397D+01  0.243105D+01  0.512373D+00
      5   0.666679D+01 -0.209174D+02  0.105735D+01 -0.228624D+00  0.538842D+01
      6   0.423822D+01 -0.630957D+01 -0.357429D+00 -0.144454D+00  0.626265D-02
               121           122           123           124           125 
      1   0.815288D+00 -0.494315D+01  0.443133D+01  0.451012D+00  0.204794D+01
      2   0.593020D-01  0.995054D+00  0.795947D+00 -0.344232D+00  0.224083D+01
      3  -0.874590D+00  0.394809D+01 -0.522727D+01 -0.106780D+00 -0.428877D+01
      4   0.244088D+01 -0.113871D+01  0.127985D+01  0.237906D+00  0.394020D+01
      5  -0.620610D+00  0.101806D+01 -0.257571D+01  0.543236D+01 -0.162066D+01
      6  -0.161395D+00 -0.231057D+01  0.576074D+01 -0.130782D+00  0.470303D+01
               126           127           128           129           130 
      1  -0.210449D+02 -0.366300D+00  0.579236D+01 -0.397502D+01  0.374496D+01
      2  -0.115987D+02  0.424011D+00 -0.763172D+01  0.356947D+01 -0.361562D+01
      3   0.326436D+02 -0.577113D-01  0.183936D+01  0.405553D+00 -0.129340D+00
      4  -0.273975D+01 -0.171718D+01  0.879722D+00 -0.220646D+01  0.300263D+01
      5   0.108751D+02 -0.131020D+01  0.200698D-01  0.191510D-01 -0.132572D-01
      6  -0.311072D+00 -0.462721D+01  0.238484D+01 -0.293341D+01  0.687412D+00
               131           132           133           134           135 
      1  -0.182698D+02  0.755260D+01 -0.687311D+01  0.144861D+02 -0.147792D+02
      2   0.254033D+02 -0.102075D+02  0.426108D+01 -0.195146D+02  0.137074D+02
      3  -0.713355D+01  0.265495D+01  0.261203D+01  0.502847D+01  0.107173D+01
      4   0.100203D+02 -0.377024D+01 -0.498937D+01 -0.787029D+01  0.595425D+01
      5  -0.526425D+01  0.597353D+01  0.702795D+00  0.833213D+01 -0.103733D+02
      6  -0.943111D+01  0.116112D+02 -0.408630D+00  0.155328D+02 -0.155012D+02
               136           137           138           139           140 
      1   0.478793D+01  0.513385D+01  0.312920D+01  0.286261D+01 -0.261204D+02
      2  -0.374491D+01 -0.374005D+01 -0.124242D+01 -0.514061D+00  0.325183D+02
      3  -0.104302D+01 -0.139380D+01 -0.188677D+01 -0.234855D+01 -0.639791D+01
      4   0.387344D+01  0.557605D+01  0.426874D+01  0.820962D+01  0.217389D+02
      5   0.247231D+01  0.315318D+01  0.381465D+01  0.389204D+01  0.110935D+02
      6   0.393946D+01 -0.253387D+00 -0.688524D+00  0.373610D+01  0.256922D+02
               141           142           143           144           145 
      1  -0.127682D+02 -0.125945D+01 -0.218578D+02 -0.205790D+02 -0.187479D+01
      2   0.126910D+02  0.352316D+01  0.205885D+02  0.120625D+02 -0.943918D+00
      3   0.771338D-01 -0.226372D+01  0.126935D+01  0.851645D+01  0.281871D+01
      4   0.109646D+02  0.989180D+01  0.177969D+02  0.131844D+02  0.698498D+00
      5   0.924899D+01  0.696628D+01  0.144482D+02  0.136342D+02 -0.248946D+01
      6   0.199221D+02  0.525609D+01  0.288661D+02  0.255052D+02 -0.843327D+00
               146           147           148           149           150 
      1   0.132362D+01 -0.574891D+01  0.285414D+01 -0.918071D+01  0.100272D+02
      2   0.961648D+00  0.714536D+00 -0.100290D+01 -0.826765D+00  0.700848D+01
      3  -0.228527D+01  0.503438D+01 -0.185124D+01  0.100075D+02 -0.170357D+02
      4   0.320140D+00  0.120480D+01  0.389108D+00  0.150623D+02 -0.872824D+01
      5  -0.240283D+00  0.303569D+01 -0.308621D+01 -0.694407D+01  0.113005D+02
      6   0.258744D+01 -0.158983D+01  0.153032D+01 -0.158325D+02  0.107626D+02
               151           152           153           154           155 
      1  -0.355065D+01  0.679799D+01 -0.957614D+01  0.269761D+02 -0.667205D+01
      2   0.118840D+01  0.410916D+01 -0.711191D+01 -0.193942D+02  0.350255D+01
      3   0.236225D+01 -0.109072D+02  0.166880D+02 -0.758185D+01  0.316951D+01
      4   0.974858D+00 -0.691543D+01  0.657255D+01 -0.206368D+02  0.143944D+02
      5   0.446433D+01  0.516939D+01 -0.795395D+01 -0.364091D+02  0.135714D+02
      6  -0.132044D+01  0.104209D+02 -0.849835D+01  0.117673D+02 -0.866010D+01
               156           157           158           159           160 
      1  -0.815431D+01 -0.726054D+01  0.819376D+00  0.700616D-01 -0.643900D+01
      2   0.140360D+02  0.410087D+01 -0.299486D+00 -0.234593D+01  0.106777D+02
      3  -0.588169D+01  0.315967D+01 -0.519890D+00  0.227587D+01 -0.423865D+01
      4   0.114668D+02  0.129374D+02 -0.106953D+02 -0.945246D+01  0.793826D+01
      5   0.294201D+02  0.131830D+02 -0.105899D+02 -0.108645D+02  0.209441D+02
      6  -0.966768D+01 -0.741252D+01  0.788291D+01  0.949457D+01 -0.689453D+01
               161           162           163           164           165 
      1   0.290426D+00  0.258964D+01 -0.110944D+02 -0.131979D+02 -0.130539D+02
      2  -0.182047D+01 -0.101751D+02  0.555653D+01  0.930127D+01  0.189726D+01
      3   0.153005D+01  0.758545D+01  0.553783D+01  0.389661D+01  0.111566D+02
      4  -0.600540D+01 -0.798182D+01  0.175029D+01 -0.692829D+00  0.525150D+00
      5  -0.788068D+01 -0.198577D+02  0.655138D+01  0.447031D+01  0.137719D+01
      6   0.704344D+01  0.764740D+01  0.839732D+01  0.106485D+02  0.752955D+01
               166           167           168           169           170 
      1  -0.105783D+02 -0.159199D+02 -0.883506D+01 -0.659603D+01 -0.483613D+01
      2   0.759997D+01  0.119419D+02  0.232520D+01  0.111724D+01  0.834063D+00
      3   0.297829D+01  0.397800D+01  0.650986D+01  0.547879D+01  0.400207D+01
      4   0.167523D+01 -0.267642D+01 -0.333886D+01  0.108179D+01 -0.172283D+01
      5   0.638473D+01  0.485300D+00 -0.183527D+01  0.407835D+01  0.194385D+00
      6   0.641842D+01  0.123071D+02  0.106715D+02  0.374647D+01  0.729546D+01
               171           172           173           174           175 
      1  -0.720209D+01 -0.140314D+02 -0.244713D+02 -0.962541D+00 -0.151935D+02
      2   0.193586D+00  0.157096D+02  0.285369D+02  0.932602D+00  0.150823D+02
      3   0.700851D+01 -0.167827D+01 -0.406563D+01  0.299387D-01  0.111197D+00
      4  -0.464696D+00  0.480455D+01 -0.603153D+00  0.248280D+01  0.573046D+01
      5   0.826076D+00 -0.443222D+01 -0.146757D+01 -0.194602D+01 -0.212251D+01
      6   0.521412D+01  0.276564D+00 -0.360135D+01  0.546134D+01 -0.137226D+01
               176           177           178           179           180 
      1  -0.263638D+02 -0.518632D+00 -0.315382D+01 -0.254962D+01 -0.460860D+01
      2   0.361635D+02  0.201723D+01  0.128126D+01  0.572380D+01  0.277654D+01
      3  -0.979969D+01 -0.149860D+01  0.187256D+01 -0.317418D+01  0.183206D+01
      4  -0.741164D+01 -0.776322D+00  0.301726D+01 -0.379457D+01 -0.383851D+00
      5  -0.323988D+01 -0.198824D+01  0.379399D+00 -0.161410D+01  0.173132D+01
      6  -0.266272D+01  0.514807D+01  0.216026D+01  0.493749D+01 -0.502350D+00
               181           182           183           184           185 
      1   0.422466D+02 -0.168996D+02 -0.742660D+01 -0.145109D+02  0.507241D+01
      2  -0.757833D+01 -0.373710D+01  0.126403D+01 -0.203227D+01  0.109999D+02
      3  -0.346682D+02  0.206367D+02  0.616257D+01  0.165432D+02 -0.160723D+02
      4  -0.485643D+02  0.344821D+02  0.718321D+01  0.274925D+02 -0.250610D+02
      5  -0.346712D+01  0.958595D+00  0.997203D+01  0.159999D+01 -0.297670D+01
      6   0.339244D+01 -0.150261D+01 -0.708125D+01 -0.169143D+01  0.226625D+01
               186           187           188           189           190 
      1   0.123881D+01 -0.117290D+02  0.266051D+01  0.514050D+01  0.368158D+01
      2   0.248778D+01  0.470326D+00  0.556614D+01 -0.245565D+01 -0.225353D+01
      3  -0.372660D+01  0.112587D+02 -0.822665D+01 -0.268484D+01 -0.142805D+01
      4  -0.596531D+01  0.163645D+02 -0.148039D+02 -0.867090D+01 -0.625465D+01
      5  -0.327271D+01  0.909767D+01 -0.510566D+01 -0.440434D+01  0.670127D+01
      6   0.368131D+01 -0.682336D+01  0.429421D+01  0.335090D+01 -0.276654D+01
               191           192           193           194           195 
      1  -0.386123D+01  0.395200D+01 -0.304676D+00 -0.195560D+01  0.207491D+01
      2   0.210803D+01 -0.433905D+01 -0.183376D+00 -0.246324D+00 -0.409151D+01
      3   0.175319D+01  0.387053D+00  0.488052D+00  0.220192D+01  0.201660D+01
      4   0.440441D+01 -0.262763D+01  0.204103D+01  0.157171D+01  0.285701D+01
      5  -0.115234D+01  0.997046D+01  0.146154D+01  0.296333D+01  0.259334D+01
      6   0.582856D+00 -0.356529D+01  0.198586D+00 -0.105003D+01  0.401401D+01
               196           197           198           199           200 
      1   0.435954D+01  0.444617D+01 -0.955150D+01 -0.202744D+01 -0.837487D+00
      2  -0.617586D+01 -0.478843D+01 -0.162203D+02  0.202766D+01  0.715987D+00
      3   0.181632D+01  0.342260D+00  0.257718D+02 -0.219658D-03  0.121501D+00
      4  -0.608999D+01  0.850292D+01 -0.848595D+01  0.918922D-01  0.129104D+01
      5   0.151526D+02 -0.621149D+01  0.413049D+02 -0.374392D+00 -0.453192D+00
      6  -0.704978D+01  0.984244D+01 -0.282117D+02 -0.524736D+00  0.202559D+00
               201           202           203           204           205 
      1   0.557321D+00 -0.228840D+01 -0.179178D+01  0.519884D+01  0.571099D+01
      2  -0.553975D+00 -0.202179D+01  0.100830D+01 -0.266702D+01 -0.293910D+01
      3  -0.334529D-02  0.431019D+01  0.783484D+00 -0.253182D+01 -0.277189D+01
      4  -0.701480D+00  0.807363D+00 -0.122374D+01  0.191606D+01 -0.383253D+00
      5   0.224538D+01 -0.576353D+00  0.992672D+00 -0.795592D+00  0.164774D+01
      6   0.695388D-02  0.977612D+00 -0.363936D+01  0.370491D+01  0.780462D+00
               206           207           208           209           210 
      1   0.647314D+01 -0.126522D+02  0.211562D+01  0.240743D+01 -0.547512D+01
      2  -0.463790D+01  0.109090D+01 -0.298407D+01 -0.133655D+01  0.197410D+01
      3  -0.183523D+01  0.115613D+02  0.868443D+00 -0.107088D+01  0.350101D+01
      4   0.193257D+01 -0.300612D+01  0.257151D+01  0.118934D+01 -0.153142D+01
      5  -0.192513D+01  0.410040D+01 -0.478109D+01 -0.169274D+01  0.386467D+01
      6   0.497620D+01 -0.716317D+01 -0.182973D+01  0.256371D+00  0.393850D+00
               211           212           213           214           215 
      1   0.272495D+01 -0.442284D+01  0.405054D+01 -0.243631D+01  0.447379D+01
      2  -0.440910D+01  0.788960D+00  0.175573D+01  0.352079D+01  0.235623D+00
      3   0.168414D+01  0.363388D+01 -0.580627D+01 -0.108448D+01 -0.470941D+01
      4  -0.219491D+01  0.164051D+01 -0.242788D+01 -0.369880D+01 -0.390714D+01
      5  -0.516874D+01 -0.337614D+01  0.683558D+01  0.751385D+01  0.563325D+01
      6   0.135559D+01 -0.306633D+01  0.428822D+01  0.247040D+01  0.632166D+01
               216           217           218           219           220 
      1  -0.181373D+02  0.157376D+02 -0.620697D+01 -0.656539D+01 -0.181495D+02
      2  -0.733681D+01 -0.112419D+02  0.379595D+01  0.515989D+01  0.119601D+02
      3   0.254741D+02 -0.449568D+01  0.241103D+01  0.140551D+01  0.618941D+01
      4   0.434520D+01 -0.687793D+01  0.343143D+01  0.491300D+01  0.118819D+02
      5  -0.203890D+02 -0.814295D+01  0.561493D+01  0.109239D+02  0.156597D+02
      6  -0.636931D+01  0.260775D+01 -0.405586D+00 -0.720692D+00 -0.409241D+01
               221           222           223           224           225 
      1   0.138748D+01  0.501019D+01 -0.228317D+02 -0.586758D+00  0.935862D+01
      2  -0.160242D+01 -0.949965D+01  0.178063D+02 -0.472799D+01 -0.220391D+02
      3   0.214933D+00  0.448946D+01  0.502537D+01  0.531475D+01  0.126805D+02
      4  -0.127629D+02 -0.187377D+02  0.420663D+01 -0.181132D+02 -0.156689D+02
      5  -0.175458D+02 -0.249382D+02  0.330771D+02 -0.142043D+02 -0.565648D+02
      6   0.558537D+01  0.828326D+01 -0.247490D+01  0.694532D+01  0.629713D+01
               226           227           228           229           230 
      1   0.980302D+02  0.185031D+01  0.224396D+02 -0.538740D+01  0.856015D+01
      2  -0.467085D+02  0.305763D+00 -0.975040D+01  0.371351D+01 -0.259118D+01
      3  -0.513217D+02 -0.215607D+01 -0.126892D+02  0.167389D+01 -0.596897D+01
      4   0.634302D+01  0.130563D+02  0.260649D+01  0.130959D+02  0.273216D+01
      5   0.184221D+02  0.172241D+01  0.166534D+02  0.644384D+00  0.159199D+01
      6   0.302407D+01 -0.139654D+00  0.162624D+01  0.233455D+00 -0.594002D+00
               231           232           233           234           235 
      1   0.436644D+00  0.478794D+02  0.237053D+01  0.186586D+02  0.275110D+01
      2  -0.900374D+00 -0.227754D+02 -0.107729D+01 -0.105337D+02  0.264561D-01
      3   0.463730D+00 -0.251041D+02 -0.129325D+01 -0.812490D+01 -0.277756D+01
      4   0.195247D+01  0.480707D+01  0.715271D+01  0.168827D+00  0.321930D+01
      5  -0.266139D+01  0.213648D+02 -0.380282D+00  0.159664D+02  0.292844D+01
      6   0.206907D+01  0.235555D+01  0.162584D+01  0.244945D+01 -0.202083D+01
               236           237           238           239           240 
      1   0.824181D+01  0.455610D+00  0.208758D+02 -0.906467D+01  0.297570D+01
      2  -0.564856D+01 -0.690169D-01 -0.619834D+01  0.221819D+02 -0.457911D+01
      3  -0.259325D+01 -0.386593D+00 -0.146775D+02 -0.131172D+02  0.160341D+01
      4  -0.343073D+00  0.157833D+01  0.211270D+02  0.590118D+02 -0.206933D+02
      5   0.915601D+00 -0.220792D+00 -0.887807D+01 -0.190990D+02  0.145283D+02
      6   0.131738D+01 -0.153565D+01 -0.451157D+01 -0.167166D+02  0.109102D+02
               241           242           243 
      1  -0.584983D+01  0.325421D+01  0.139998D+01
      2   0.335528D+01 -0.298549D+01 -0.137755D+01
      3   0.249455D+01 -0.268724D+00 -0.224307D-01
      4  -0.410600D+01 -0.156139D+02  0.110748D+02
      5   0.126975D+02  0.113119D+02 -0.169935D+02
      6   0.198985D+01  0.940440D+01 -0.583195D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x         -0.691470D+00     -0.175754D+01     -0.586253D+01
   y          0.308382D+00      0.783828D+00      0.261457D+01
   z         -0.974522D+00     -0.247699D+01     -0.826234D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.161954D+03      0.239991D+02      0.267026D+02
   yx         0.539450D+01      0.799383D+00      0.889434D+00
   yy         0.104291D+03      0.154544D+02      0.171953D+02
   zx        -0.277386D+01     -0.411043D+00     -0.457347D+00
   zy        -0.301374D+01     -0.446590D+00     -0.496899D+00
   zz         0.109144D+03      0.161735D+02      0.179955D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129943D+03      0.192556D+02      0.214248D+02
   aniso      0.610961D+02      0.905350D+01      0.100734D+02
   xx         0.169801D+03      0.251619D+02      0.279964D+02
   yx         0.572621D+01      0.848536D+00      0.944124D+00
   yy         0.107820D+03      0.159773D+02      0.177771D+02
   zx        -0.260130D+01     -0.385473D+00     -0.428896D+00
   zy        -0.289978D+01     -0.429704D+00     -0.478110D+00
   zz         0.112209D+03      0.166277D+02      0.185008D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.47003587         -1.55170563         -0.14292920
     6         -3.17181872         -0.51541034          2.21084510
     6         -0.77111491          1.15060717          1.59450997
     6          0.66859704          0.65979770         -0.74467458
     6          3.10824202          0.02707780         -0.85801554
     6          4.40266170         -0.45926070         -3.29830993
     8          3.32022049         -0.31998661         -5.31906242
     6         -2.72446495         -2.60046238          4.12911090
     6         -4.47705279          1.93040096          3.18411819
     6         -2.50220805          3.51604622          1.73593716
     6          7.17124817         -1.14545872         -3.12985568
     1         -4.28457458          2.13565878          5.22637184
     1         -6.45807385          2.18504040          2.67893685
     1          0.49184684          1.10174215          3.22626510
     1         -3.16702927          4.07854473         -0.13092037
     1         -1.71674391          5.16969495          2.67562958
     1         -4.83542943         -0.07993794         -1.54017085
     1         -6.28577299         -2.38877203          0.37077317
     1         -3.32727180         -3.01218529         -1.04791291
     1         -1.50561697         -4.07288662          3.34530268
     1         -4.50723066         -3.48641399          4.68169538
     1         -1.82450685         -1.86588607          5.83436726
     1         -0.33566003          0.81103852         -2.52907238
     1          4.21987844         -0.14603612          0.85714660
     1          8.22104849          0.36948520         -2.19585100
     1          7.93654250         -1.46694317         -5.00912134
     1          7.41248586         -2.84206233         -1.97536526

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.123407D+01      0.313669D+01      0.104629D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.148545D+03      0.220120D+02      0.244917D+02
   yx        -0.848723D+01     -0.125768D+01     -0.139936D+01
   yy         0.104200D+03      0.154408D+02      0.171802D+02
   zx        -0.220757D+02     -0.327128D+01     -0.363979D+01
   zy         0.362876D+01      0.537726D+00      0.598301D+00
   zz         0.122645D+03      0.181742D+02      0.202215D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129943D+03      0.192556D+02      0.214248D+02
   aniso      0.610961D+02      0.905350D+01      0.100734D+02
   xx         0.154737D+03      0.229296D+02      0.255127D+02
   yx        -0.906533D+01     -0.134334D+01     -0.149467D+01
   yy         0.107838D+03      0.159799D+02      0.177800D+02
   zx        -0.243032D+02     -0.360137D+01     -0.400706D+01
   zy         0.401394D+01      0.594805D+00      0.661809D+00
   zz         0.127255D+03      0.188573D+02      0.209816D+02

 ----------------------------------------------------------------------
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 MANHOOD BEGINS BY TRYING TO SHAVE FACE,
 AND ENDS BY TRYING TO SAVE FACE.
 Job cpu time:       0 days  6 hours 50 minutes 40.5 seconds.
 Elapsed time:       0 days  0 hours 51 minutes 23.2 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:38:32 2021.
